PyQt5 QTreeView.clear() AttributeError: 'QTreeView' object has no attribute 'clear'
PyQt5 QTreeView.clear() AttributeError: 'QTreeView' object has no attribute 'clear'
File "/.../.../........./app.py", line 64, in textchanged
self.treeView.clear()
AttributeError: 'QTreeView' object has no attribute 'clear'
知道如何清除 QTreeView 小部件吗？ Google 没有帮助
尝试过https://gist.github.com/tcrowson/8273931
import PySide
from PySide import QtGui
def clearQTreeWidget(tree):
iterator = QtGui.QTreeWidgetItemIterator(tree, QtGui.QTreeWidgetItemIterator.All)
while iterator.value():
iterator.value().takeChildren()
iterator +=1
i = tree.topLevelItemCount()
while i > -1:
tree.takeTopLevelItem(i)
i -= 1
但在 PyQt5 中：
AttributeError: module 'PyQt5.QtGui' has no attribute 'QTreeWidgetItemIterator'
此答案适用于所有在上述评论中帮助过我的人：
1111.pdb :
ATOM 1 N ASN A 1 -7.615 2.627 3.239 1.00 4.51 N
ANISOU 1 N ASN A 1 644 614 454 -45 26 52 N
ATOM 2 CA ASN A 1 -6.403 1.794 2.980 1.00 4.52 C
ANISOU 2 CA ASN A 1 638 558 520 -22 -10 3 C
ATOM 3 C ASN A 1 -5.154 2.381 3.598 1.00 4.76 C
ANISOU 3 C ASN A 1 618 625 565 -15 -6 -5 C
ATOM 4 O ASN A 1 -5.052 3.583 3.763 1.00 5.03 O
ANISOU 4 O ASN A 1 687 619 605 42 -54 -9 O
ATOM 5 CB ASN A 1 -6.219 1.595 1.484 1.00 4.79 C
ANISOU 5 CB ASN A 1 673 605 542 14 5 -27 C
ATOM 6 CG ASN A 1 -7.469 1.079 0.834 1.00 6.31 C
ANISOU 6 CG ASN A 1 755 877 767 26 17 -45 C
ATOM 7 OD1 ASN A 1 -7.912 -0.028 1.124 1.00 5.83 O
ANISOU 7 OD1 ASN A 1 854 753 610 60 -37 -119 O
ATOM 8 ND2 ASN A 1 -8.079 1.901 -0.009 1.00 6.13 N
ANISOU 8 ND2 ASN A 1 686 925 717 87 13 0 N
ATOM 9 N ASN A 2 -4.224 1.506 3.951 1.00 4.81 N
ANISOU 9 N ASN A 2 624 619 583 0 16 -5 N
ATOM 10 CA ASN A 2 -2.995 1.882 4.640 1.00 4.73 C
ANISOU 10 CA ASN A 2 604 608 584 -3 21 7 C
ATOM 11 C ASN A 2 -1.771 1.299 3.937 1.00 4.43 C
ANISOU 11 C ASN A 2 571 573 539 10 25 4 C
ATOM 12 O ASN A 2 -1.737 0.108 3.651 1.00 4.42 O
ANISOU 12 O ASN A 2 498 606 576 -8 6 34 O
ATOM 13 CB ASN A 2 -3.041 1.359 6.079 1.00 4.98 C
ANISOU 13 CB ASN A 2 638 630 626 -18 50 19 C
ATOM 14 CG ASN A 2 -1.845 1.784 6.884 1.00 5.61 C
ANISOU 14 CG ASN A 2 770 685 678 -10 17 29 C
ATOM 15 OD1 ASN A 2 -1.609 2.986 7.034 1.00 7.46 O
ANISOU 15 OD1 ASN A 2 1179 674 980 -44 -236 39 O
ATOM 16 ND2 ASN A 2 -1.080 0.819 7.410 1.00 5.64 N
ANISOU 16 ND2 ASN A 2 767 719 658 -36 -48 54 N
ATOM 17 N GLN A 3 -0.784 2.153 3.656 1.00 4.16 N
ANISOU 17 N GLN A 3 565 559 457 36 6 0 N
ATOM 18 CA GLN A 3 0.550 1.721 3.226 1.00 4.34 C
ANISOU 18 CA GLN A 3 567 556 526 10 21 8 C
ATOM 19 C GLN A 3 1.591 2.457 4.068 1.00 4.48 C
ANISOU 19 C GLN A 3 566 573 562 41 0 6 C
ATOM 20 O GLN A 3 1.617 3.677 4.085 1.00 4.56 O
ANISOU 20 O GLN A 3 576 576 580 16 -47 47 O
ATOM 21 CB GLN A 3 0.790 1.994 1.735 1.00 4.34 C
ANISOU 21 CB GLN A 3 533 574 541 -20 18 51 C
ATOM 22 CG GLN A 3 2.095 1.388 1.209 1.00 4.58 C
ANISOU 22 CG GLN A 3 676 524 540 32 30 10 C
ATOM 23 CD GLN A 3 2.524 1.951 -0.124 1.00 4.63 C
ANISOU 23 CD GLN A 3 680 546 532 -56 7 -3 C
ATOM 24 OE1 GLN A 3 2.751 3.154 -0.250 1.00 4.86 O
ANISOU 24 OE1 GLN A 3 741 508 598 -99 97 108 O
ATOM 25 NE2 GLN A 3 2.670 1.085 -1.122 1.00 3.96 N
ANISOU 25 NE2 GLN A 3 549 403 554 59 -29 -44 N
ATOM 26 N GLN A 4 2.425 1.709 4.783 1.00 4.51 N
ANISOU 26 N GLN A 4 570 573 572 26 0 4 N
ATOM 27 CA GLN A 4 3.503 2.295 5.567 1.00 5.00 C
ANISOU 27 CA GLN A 4 616 655 629 7 -13 19 C
ATOM 28 C GLN A 4 4.824 1.700 5.121 1.00 4.74 C
ANISOU 28 C GLN A 4 566 615 619 10 -23 16 C
ATOM 29 O GLN A 4 4.977 0.485 5.042 1.00 4.74 O
ANISOU 29 O GLN A 4 499 623 680 34 -69 61 O
ATOM 30 CB GLN A 4 3.263 2.101 7.063 1.00 5.31 C
ANISOU 30 CB GLN A 4 638 704 674 -1 -17 35 C
ATOM 31 CG GLN A 4 2.128 2.959 7.602 1.00 6.23 C
ANISOU 31 CG GLN A 4 784 793 792 -13 12 41 C
ATOM 32 CD GLN A 4 1.734 2.581 9.002 1.00 6.26 C
ANISOU 32 CD GLN A 4 816 844 719 -70 -74 -50 C
ATOM 33 OE1 GLN A 4 1.144 1.526 9.223 1.00 7.59 O
ANISOU 33 OE1 GLN A 4 989 1052 841 -241 -67 25 O
ATOM 34 NE2 GLN A 4 2.088 3.427 9.976 1.00 8.64 N
ANISOU 34 NE2 GLN A 4 1402 1172 710 -95 -36 -172 N
ATOM 35 N ASN A 5 5.758 2.597 4.821 1.00 5.19 N
ANISOU 35 N ASN A 5 596 702 673 -16 8 23 N
ATOM 36 CA ASN A 5 7.061 2.275 4.262 1.00 5.29 C
ANISOU 36 CA ASN A 5 642 709 660 11 -1 8 C
ATOM 37 C ASN A 5 8.114 2.789 5.215 1.00 5.89 C
ANISOU 37 C ASN A 5 700 750 788 -28 -4 -18 C
ATOM 38 O ASN A 5 8.370 3.981 5.260 1.00 6.26 O
ANISOU 38 O ASN A 5 765 718 897 -40 -47 31 O
ATOM 39 CB ASN A 5 7.185 2.937 2.893 1.00 5.44 C
ANISOU 39 CB ASN A 5 620 819 628 18 -1 23 C
ATOM 40 CG ASN A 5 6.036 2.570 1.974 1.00 4.77 C
ANISOU 40 CG ASN A 5 581 600 633 -7 71 -35 C
ATOM 41 OD1 ASN A 5 5.922 1.414 1.558 1.00 4.98 O
ANISOU 41 OD1 ASN A 5 758 486 648 56 -38 -81 O
ATOM 42 ND2 ASN A 5 5.157 3.538 1.679 1.00 4.95 N
ANISOU 42 ND2 ASN A 5 531 675 676 -141 28 79 N
ATOM 43 N TYR A 6 8.692 1.895 6.001 1.00 5.71 N
ANISOU 43 N TYR A 6 720 684 764 -31 -6 -29 N
ATOM 44 CA TYR A 6 9.522 2.304 7.140 1.00 6.06 C
ANISOU 44 CA TYR A 6 787 751 763 -21 1 -18 C
ATOM 45 C TYR A 6 10.972 2.565 6.754 1.00 6.79 C
ANISOU 45 C TYR A 6 852 866 863 -4 -20 -14 C
ATOM 46 O TYR A 6 11.344 2.407 5.590 1.00 6.49 O
ANISOU 46 O TYR A 6 864 773 829 5 17 59 O
ATOM 47 CB TYR A 6 9.432 1.277 8.273 1.00 6.25 C
ANISOU 47 CB TYR A 6 771 825 777 -9 1 -3 C
ATOM 48 CG TYR A 6 8.034 1.157 8.838 1.00 6.51 C
ANISOU 48 CG TYR A 6 872 761 840 -24 50 29 C
ATOM 49 CD1 TYR A 6 7.124 0.253 8.307 1.00 7.04 C
ANISOU 49 CD1 TYR A 6 893 876 905 -54 60 0 C
ATOM 50 CD2 TYR A 6 7.618 1.964 9.891 1.00 6.57 C
ANISOU 50 CD2 TYR A 6 816 839 841 -36 -22 -8 C
ATOM 51 CE1 TYR A 6 5.838 0.139 8.824 1.00 7.41 C
ANISOU 51 CE1 TYR A 6 891 961 963 -52 -26 -14 C
ATOM 52 CE2 TYR A 6 6.330 1.864 10.407 1.00 7.41 C
ANISOU 52 CE2 TYR A 6 928 1009 877 -29 30 -28 C
ATOM 53 CZ TYR A 6 5.451 0.942 9.879 1.00 7.24 C
ANISOU 53 CZ TYR A 6 823 1006 922 -7 36 18 C
ATOM 54 OH TYR A 6 4.177 0.856 10.381 1.00 8.39 O
ANISOU 54 OH TYR A 6 988 1099 1102 -75 51 70 O
ATOM 55 OXT TYR A 6 11.788 2.976 7.592 1.00 8.07 O
ANISOU 55 OXT TYR A 6 968 1126 971 -28 -50 10 O
TER 56 TYR A 6
HETATM 57 ZN ZN A 7 13.281 2.891 5.326 1.00 6.49 ZN
ANISOU 57 ZN ZN A 7 784 821 860 -54 33 -6 ZN
HETATM 58 C ACY A 10 14.386 5.403 6.406 1.00 6.91 C
ANISOU 58 C ACY A 10 850 912 865 -52 -40 25 C
HETATM 59 O ACY A 10 14.546 6.633 6.397 1.00 6.40 O
ANISOU 59 O ACY A 10 765 812 853 78 -65 147 O
HETATM 60 OXT ACY A 10 13.622 4.803 5.620 1.00 6.13 O
ANISOU 60 OXT ACY A 10 798 706 827 -127 2 -40 O
HETATM 61 CH3 ACY A 10 15.156 4.626 7.437 1.00 7.00 C
ANISOU 61 CH3 ACY A 10 882 946 832 -65 -43 6 C
HETATM 62 O HOH A 8 -10.505 1.596 3.027 1.00 5.62 O
ANISOU 62 O HOH A 8 682 921 531 -3 99 -98 O
HETATM 63 O HOH A 9 -10.556 4.008 1.574 1.00 5.67 O
ANISOU 63 O HOH A 9 664 744 747 78 -92 -79 O
HETATM 64 O HOH A 11 12.427 4.356 9.859 1.00 15.37 O
ANISOU 64 O HOH A 11 1819 2319 1702 -118 1 0 O
HETATM 65 O HOH A 12 13.627 6.646 9.636 1.00 25.87 O
ANISOU 65 O HOH A 12 3544 3345 2941 -113 -31 -55 O
HETATM 66 O HOH A 13 0.421 0.597 11.913 1.00 37.06 O
ANISOU 66 O HOH A 13 4669 4811 4602 -8 -10 -69 O
HETATM 67 O HOH A 14 -1.801 -0.217 12.498 1.00 39.09 O
ANISOU 67 O HOH A 14 4948 5054 4851 -31 83 1 O
HETATM 68 O HOH A 15 -1.057 2.545 11.391 1.00 49.99 O
ANISOU 68 O HOH A 15 6356 6344 6294 -19 13 -16 O
CONECT 46 57
CONECT 55 57
CONECT 57 46 55 60
CONECT 58 59 60 61
CONECT 59 58
CONECT 60 57 58
CONECT 61 58
MASTER 253 0 2 0 0 0 2 6 67 1 7 1
END
mainwin4.py :
from PyQt5 import QtCore, QtGui, QtWidgets
class Ui_MyApp(object):
def setupUi(self, MyApp):
MyApp.setObjectName("MyApp")
MyApp.resize(786, 600)
self.centralwidget = QtWidgets.QWidget(MyApp)
self.centralwidget.setObjectName("centralwidget")
self.lineEdit_input = QtWidgets.QLineEdit(self.centralwidget)
self.lineEdit_input.setGeometry(QtCore.QRect(220, 70, 301, 41))
self.lineEdit_input.setClearButtonEnabled(False)
self.lineEdit_input.setObjectName("lineEdit_input")
self.pushButton_input = QtWidgets.QPushButton(self.centralwidget)
self.pushButton_input.setGeometry(QtCore.QRect(550, 70, 171, 41))
font = QtGui.QFont()
font.setPointSize(14)
font.setItalic(False)
self.pushButton_input.setFont(font)
self.pushButton_input.setCheckable(True)
self.pushButton_input.setObjectName("pushButton_input")
self.label = QtWidgets.QLabel(self.centralwidget)
self.label.setGeometry(QtCore.QRect(50, 70, 151, 41))
font = QtGui.QFont()
font.setPointSize(14)
font.setItalic(False)
self.label.setFont(font)
self.label.setObjectName("label")
self.treeWidget = QtWidgets.QTreeWidget(self.centralwidget)
self.treeWidget.setGeometry(QtCore.QRect(390, 170, 331, 391))
self.treeWidget.setObjectName("treeWidget")
self.treeWidget.headerItem().setText(0, "1")
self.treeWidget.header().setVisible(True)
self.treeView = QtWidgets.QTreeView(self.centralwidget)
self.treeView.setGeometry(QtCore.QRect(50, 170, 331, 391))
self.treeView.setObjectName("treeView")
self.treeView.header().setVisible(True)
self.label_2 = QtWidgets.QLabel(self.centralwidget)
self.label_2.setGeometry(QtCore.QRect(150, 140, 141, 31))
font = QtGui.QFont()
font.setPointSize(12)
font.setBold(True)
font.setWeight(75)
self.label_2.setFont(font)
self.label_2.setObjectName("label_2")
self.label_3 = QtWidgets.QLabel(self.centralwidget)
self.label_3.setGeometry(QtCore.QRect(480, 140, 161, 31))
font = QtGui.QFont()
font.setPointSize(12)
font.setBold(True)
font.setWeight(75)
self.label_3.setFont(font)
self.label_3.setObjectName("label_3")
MyApp.setCentralWidget(self.centralwidget)
self.retranslateUi(MyApp)
QtCore.QMetaObject.connectSlotsByName(MyApp)
def retranslateUi(self, MyApp):
_translate = QtCore.QCoreApplication.translate
MyApp.setWindowTitle(_translate("MyApp", "MyApp"))
self.pushButton_input.setText(_translate("MyApp", "load"))
self.label.setText(_translate("MyApp", "insert PDB code"))
self.label_2.setText(_translate("MyApp", " QTreeView"))
self.label_3.setText(_translate("MyApp", " QTreeWidget"))
main.py :
import sys
from PyQt5.QtWidgets import QApplication, QMainWindow, QMessageBox, \
QTreeWidgetItem
from PyQt5 import QtGui, QtWidgets
from mainwin4 import Ui_MyApp
from Bio.PDB import PDBParser
class MyApp(QMainWindow, Ui_MyApp):
def __init__(self, parent=None):
super(MyApp, self).__init__(parent)
self.setupUi(self)
self.lineEdit_input.setMaxLength(4)
self.lineEdit_input.setPlaceholderText(" 4 characters PDB entry code")
self.lineEdit_input.textChanged.connect(self.textchanged)
self.pushButton_input.setEnabled(False)
self.pushButton_input.clicked.connect(self.load_pdb)
self.pushButton_input.setStyleSheet("background-color: %s " % '#fa6555')
self.model = None
self.treeView.hide()
# self.treeView.setHeaderHidden(True)
self.treeWidget.hide()
def textchanged(self):
if len(self.lineEdit_input.text()) == 4:
self.pushButton_input.setStyleSheet("background-color: %s " % '#9de650')
self.pushButton_input.setEnabled(True)
self.treeView.show()
self.treeWidget.show()
else:
self.pushButton_input.setStyleSheet("background-color: %s " % '#fa6555')
self.pushButton_input.setEnabled(False)
# TO CLEAR QTreeView
if self.model != None :
# self.model.clear() # works
self.model.setRowCount(0) # works
# TO CLEAR QTreeWidget
# self.treeWidget.clear() # works
self.clearQTreeWidget(self.treeWidget) # works
self.treeView.hide()
self.treeWidget.hide()
def load_pdb(self):
self.pushButton_input.setEnabled(False)
self. parser = PDBParser(PERMISSIVE=1, QUIET=1)
try:
print(self.lineEdit_input.text()+'.pdb')
self.structure = self.parser.get_structure(self.lineEdit_input.text(), self.lineEdit_input.text()+'.pdb')
print('load')
# self.read_bfact()
self.create_tree()
except:
self.msg = QMessageBox(self)
self.msg.setIcon(QMessageBox.Critical)
self.msg.setText("Error")
self.msg.setInformativeText('no PDB found')
self.msg.setDetailedText("details")
self.msg.setWindowTitle("Error")
self.msg.show()
self.lineEdit_input.setText('')
def create_tree(self):
self.model = QtGui.QStandardItemModel()
self.rootNode = self.model.invisibleRootItem()
self.stru = QtGui.QStandardItem(self.structure.id)
self.rootNode.appendRow(self.stru)
self.treeView.setModel(self.model)
# self.treeView.expandAll()
for model in self.structure:
self.mod = QtGui.QStandardItem(str(model.id+1))
self.stru.appendRow(self.mod)
for chain in model:
self.cha = QtGui.QStandardItem(str(chain.id))
self.mod.appendRow(self.cha)
for residue in chain:
self.res = QtGui.QStandardItem(str(residue.get_resname()))
self.cha.appendRow(self.res)
for atom in residue:
self.ato = QtGui.QStandardItem(str(atom.id +' '+ str(atom.get_serial_number())))
self.res.appendRow(self.ato)
# self.treeView.expandAll()
self.items = []
self.struct = QTreeWidgetItem([str(self.structure.id)])
for model in self.structure:
item = QTreeWidgetItem([str(model.id+1)])
self.struct.addChild(item)
for chain in model:
child = QTreeWidgetItem([str(chain.id)])
item.addChild(child)
for residue in chain:
child2 = QTreeWidgetItem([str(residue.get_resname())])
child.addChild(child2)
for atom in residue:
child3 = QTreeWidgetItem([str(atom.id +' '+ str(atom.get_serial_number()))])
child2.addChild(child3)
self.items.append(self.struct)
self.treeWidget.insertTopLevelItems(0, self.items)
# self.treeWidget.expandAll()
def clearQTreeWidget(self, tree):
iterator = QtWidgets.QTreeWidgetItemIterator(tree, QtWidgets.QTreeWidgetItemIterator.All)
while iterator.value():
iterator.value().takeChildren()
iterator +=1
i = tree.topLevelItemCount()
while i > -1:
tree.takeTopLevelItem(i)
i -= 1
if __name__ == '__main__':
app = QApplication(sys.argv)
myapp = MyApp()
myapp.show()
try:
sys.exit(app.exec_())
except SystemExit:
print('Closing Window...')
我尝试使用 QTreeView 和 QTreeWidget 创建 PDB 对象的可视化，脚本在其同一目录中加载 pdb 文件（如果文件被调用则插入 1111 1111.pdb） .然后按下 LOAD 按钮可视化其结构，如果 PDB 进入代码输入 window 被取消，则两个可视化树将用此代码擦除：
# TO CLEAR QTreeView
if self.model != None :
# self.model.clear() # works
self.model.setRowCount(0) # works
# TO CLEAR QTreeWidget
# self.treeWidget.clear() # works
self.clearQTreeWidget(self.treeWidget) # works
不确定这是使用 QTreeView 和 QTreeWidget
的最佳方式
但至少我掌握了如何清除它们
File "/.../.../........./app.py", line 64, in textchanged
self.treeView.clear()
AttributeError: 'QTreeView' object has no attribute 'clear'
知道如何清除 QTreeView 小部件吗？ Google 没有帮助
尝试过https://gist.github.com/tcrowson/8273931
import PySide
from PySide import QtGui
def clearQTreeWidget(tree):
iterator = QtGui.QTreeWidgetItemIterator(tree, QtGui.QTreeWidgetItemIterator.All)
while iterator.value():
iterator.value().takeChildren()
iterator +=1
i = tree.topLevelItemCount()
while i > -1:
tree.takeTopLevelItem(i)
i -= 1
但在 PyQt5 中：
AttributeError: module 'PyQt5.QtGui' has no attribute 'QTreeWidgetItemIterator'
此答案适用于所有在上述评论中帮助过我的人：
1111.pdb :
ATOM 1 N ASN A 1 -7.615 2.627 3.239 1.00 4.51 N
ANISOU 1 N ASN A 1 644 614 454 -45 26 52 N
ATOM 2 CA ASN A 1 -6.403 1.794 2.980 1.00 4.52 C
ANISOU 2 CA ASN A 1 638 558 520 -22 -10 3 C
ATOM 3 C ASN A 1 -5.154 2.381 3.598 1.00 4.76 C
ANISOU 3 C ASN A 1 618 625 565 -15 -6 -5 C
ATOM 4 O ASN A 1 -5.052 3.583 3.763 1.00 5.03 O
ANISOU 4 O ASN A 1 687 619 605 42 -54 -9 O
ATOM 5 CB ASN A 1 -6.219 1.595 1.484 1.00 4.79 C
ANISOU 5 CB ASN A 1 673 605 542 14 5 -27 C
ATOM 6 CG ASN A 1 -7.469 1.079 0.834 1.00 6.31 C
ANISOU 6 CG ASN A 1 755 877 767 26 17 -45 C
ATOM 7 OD1 ASN A 1 -7.912 -0.028 1.124 1.00 5.83 O
ANISOU 7 OD1 ASN A 1 854 753 610 60 -37 -119 O
ATOM 8 ND2 ASN A 1 -8.079 1.901 -0.009 1.00 6.13 N
ANISOU 8 ND2 ASN A 1 686 925 717 87 13 0 N
ATOM 9 N ASN A 2 -4.224 1.506 3.951 1.00 4.81 N
ANISOU 9 N ASN A 2 624 619 583 0 16 -5 N
ATOM 10 CA ASN A 2 -2.995 1.882 4.640 1.00 4.73 C
ANISOU 10 CA ASN A 2 604 608 584 -3 21 7 C
ATOM 11 C ASN A 2 -1.771 1.299 3.937 1.00 4.43 C
ANISOU 11 C ASN A 2 571 573 539 10 25 4 C
ATOM 12 O ASN A 2 -1.737 0.108 3.651 1.00 4.42 O
ANISOU 12 O ASN A 2 498 606 576 -8 6 34 O
ATOM 13 CB ASN A 2 -3.041 1.359 6.079 1.00 4.98 C
ANISOU 13 CB ASN A 2 638 630 626 -18 50 19 C
ATOM 14 CG ASN A 2 -1.845 1.784 6.884 1.00 5.61 C
ANISOU 14 CG ASN A 2 770 685 678 -10 17 29 C
ATOM 15 OD1 ASN A 2 -1.609 2.986 7.034 1.00 7.46 O
ANISOU 15 OD1 ASN A 2 1179 674 980 -44 -236 39 O
ATOM 16 ND2 ASN A 2 -1.080 0.819 7.410 1.00 5.64 N
ANISOU 16 ND2 ASN A 2 767 719 658 -36 -48 54 N
ATOM 17 N GLN A 3 -0.784 2.153 3.656 1.00 4.16 N
ANISOU 17 N GLN A 3 565 559 457 36 6 0 N
ATOM 18 CA GLN A 3 0.550 1.721 3.226 1.00 4.34 C
ANISOU 18 CA GLN A 3 567 556 526 10 21 8 C
ATOM 19 C GLN A 3 1.591 2.457 4.068 1.00 4.48 C
ANISOU 19 C GLN A 3 566 573 562 41 0 6 C
ATOM 20 O GLN A 3 1.617 3.677 4.085 1.00 4.56 O
ANISOU 20 O GLN A 3 576 576 580 16 -47 47 O
ATOM 21 CB GLN A 3 0.790 1.994 1.735 1.00 4.34 C
ANISOU 21 CB GLN A 3 533 574 541 -20 18 51 C
ATOM 22 CG GLN A 3 2.095 1.388 1.209 1.00 4.58 C
ANISOU 22 CG GLN A 3 676 524 540 32 30 10 C
ATOM 23 CD GLN A 3 2.524 1.951 -0.124 1.00 4.63 C
ANISOU 23 CD GLN A 3 680 546 532 -56 7 -3 C
ATOM 24 OE1 GLN A 3 2.751 3.154 -0.250 1.00 4.86 O
ANISOU 24 OE1 GLN A 3 741 508 598 -99 97 108 O
ATOM 25 NE2 GLN A 3 2.670 1.085 -1.122 1.00 3.96 N
ANISOU 25 NE2 GLN A 3 549 403 554 59 -29 -44 N
ATOM 26 N GLN A 4 2.425 1.709 4.783 1.00 4.51 N
ANISOU 26 N GLN A 4 570 573 572 26 0 4 N
ATOM 27 CA GLN A 4 3.503 2.295 5.567 1.00 5.00 C
ANISOU 27 CA GLN A 4 616 655 629 7 -13 19 C
ATOM 28 C GLN A 4 4.824 1.700 5.121 1.00 4.74 C
ANISOU 28 C GLN A 4 566 615 619 10 -23 16 C
ATOM 29 O GLN A 4 4.977 0.485 5.042 1.00 4.74 O
ANISOU 29 O GLN A 4 499 623 680 34 -69 61 O
ATOM 30 CB GLN A 4 3.263 2.101 7.063 1.00 5.31 C
ANISOU 30 CB GLN A 4 638 704 674 -1 -17 35 C
ATOM 31 CG GLN A 4 2.128 2.959 7.602 1.00 6.23 C
ANISOU 31 CG GLN A 4 784 793 792 -13 12 41 C
ATOM 32 CD GLN A 4 1.734 2.581 9.002 1.00 6.26 C
ANISOU 32 CD GLN A 4 816 844 719 -70 -74 -50 C
ATOM 33 OE1 GLN A 4 1.144 1.526 9.223 1.00 7.59 O
ANISOU 33 OE1 GLN A 4 989 1052 841 -241 -67 25 O
ATOM 34 NE2 GLN A 4 2.088 3.427 9.976 1.00 8.64 N
ANISOU 34 NE2 GLN A 4 1402 1172 710 -95 -36 -172 N
ATOM 35 N ASN A 5 5.758 2.597 4.821 1.00 5.19 N
ANISOU 35 N ASN A 5 596 702 673 -16 8 23 N
ATOM 36 CA ASN A 5 7.061 2.275 4.262 1.00 5.29 C
ANISOU 36 CA ASN A 5 642 709 660 11 -1 8 C
ATOM 37 C ASN A 5 8.114 2.789 5.215 1.00 5.89 C
ANISOU 37 C ASN A 5 700 750 788 -28 -4 -18 C
ATOM 38 O ASN A 5 8.370 3.981 5.260 1.00 6.26 O
ANISOU 38 O ASN A 5 765 718 897 -40 -47 31 O
ATOM 39 CB ASN A 5 7.185 2.937 2.893 1.00 5.44 C
ANISOU 39 CB ASN A 5 620 819 628 18 -1 23 C
ATOM 40 CG ASN A 5 6.036 2.570 1.974 1.00 4.77 C
ANISOU 40 CG ASN A 5 581 600 633 -7 71 -35 C
ATOM 41 OD1 ASN A 5 5.922 1.414 1.558 1.00 4.98 O
ANISOU 41 OD1 ASN A 5 758 486 648 56 -38 -81 O
ATOM 42 ND2 ASN A 5 5.157 3.538 1.679 1.00 4.95 N
ANISOU 42 ND2 ASN A 5 531 675 676 -141 28 79 N
ATOM 43 N TYR A 6 8.692 1.895 6.001 1.00 5.71 N
ANISOU 43 N TYR A 6 720 684 764 -31 -6 -29 N
ATOM 44 CA TYR A 6 9.522 2.304 7.140 1.00 6.06 C
ANISOU 44 CA TYR A 6 787 751 763 -21 1 -18 C
ATOM 45 C TYR A 6 10.972 2.565 6.754 1.00 6.79 C
ANISOU 45 C TYR A 6 852 866 863 -4 -20 -14 C
ATOM 46 O TYR A 6 11.344 2.407 5.590 1.00 6.49 O
ANISOU 46 O TYR A 6 864 773 829 5 17 59 O
ATOM 47 CB TYR A 6 9.432 1.277 8.273 1.00 6.25 C
ANISOU 47 CB TYR A 6 771 825 777 -9 1 -3 C
ATOM 48 CG TYR A 6 8.034 1.157 8.838 1.00 6.51 C
ANISOU 48 CG TYR A 6 872 761 840 -24 50 29 C
ATOM 49 CD1 TYR A 6 7.124 0.253 8.307 1.00 7.04 C
ANISOU 49 CD1 TYR A 6 893 876 905 -54 60 0 C
ATOM 50 CD2 TYR A 6 7.618 1.964 9.891 1.00 6.57 C
ANISOU 50 CD2 TYR A 6 816 839 841 -36 -22 -8 C
ATOM 51 CE1 TYR A 6 5.838 0.139 8.824 1.00 7.41 C
ANISOU 51 CE1 TYR A 6 891 961 963 -52 -26 -14 C
ATOM 52 CE2 TYR A 6 6.330 1.864 10.407 1.00 7.41 C
ANISOU 52 CE2 TYR A 6 928 1009 877 -29 30 -28 C
ATOM 53 CZ TYR A 6 5.451 0.942 9.879 1.00 7.24 C
ANISOU 53 CZ TYR A 6 823 1006 922 -7 36 18 C
ATOM 54 OH TYR A 6 4.177 0.856 10.381 1.00 8.39 O
ANISOU 54 OH TYR A 6 988 1099 1102 -75 51 70 O
ATOM 55 OXT TYR A 6 11.788 2.976 7.592 1.00 8.07 O
ANISOU 55 OXT TYR A 6 968 1126 971 -28 -50 10 O
TER 56 TYR A 6
HETATM 57 ZN ZN A 7 13.281 2.891 5.326 1.00 6.49 ZN
ANISOU 57 ZN ZN A 7 784 821 860 -54 33 -6 ZN
HETATM 58 C ACY A 10 14.386 5.403 6.406 1.00 6.91 C
ANISOU 58 C ACY A 10 850 912 865 -52 -40 25 C
HETATM 59 O ACY A 10 14.546 6.633 6.397 1.00 6.40 O
ANISOU 59 O ACY A 10 765 812 853 78 -65 147 O
HETATM 60 OXT ACY A 10 13.622 4.803 5.620 1.00 6.13 O
ANISOU 60 OXT ACY A 10 798 706 827 -127 2 -40 O
HETATM 61 CH3 ACY A 10 15.156 4.626 7.437 1.00 7.00 C
ANISOU 61 CH3 ACY A 10 882 946 832 -65 -43 6 C
HETATM 62 O HOH A 8 -10.505 1.596 3.027 1.00 5.62 O
ANISOU 62 O HOH A 8 682 921 531 -3 99 -98 O
HETATM 63 O HOH A 9 -10.556 4.008 1.574 1.00 5.67 O
ANISOU 63 O HOH A 9 664 744 747 78 -92 -79 O
HETATM 64 O HOH A 11 12.427 4.356 9.859 1.00 15.37 O
ANISOU 64 O HOH A 11 1819 2319 1702 -118 1 0 O
HETATM 65 O HOH A 12 13.627 6.646 9.636 1.00 25.87 O
ANISOU 65 O HOH A 12 3544 3345 2941 -113 -31 -55 O
HETATM 66 O HOH A 13 0.421 0.597 11.913 1.00 37.06 O
ANISOU 66 O HOH A 13 4669 4811 4602 -8 -10 -69 O
HETATM 67 O HOH A 14 -1.801 -0.217 12.498 1.00 39.09 O
ANISOU 67 O HOH A 14 4948 5054 4851 -31 83 1 O
HETATM 68 O HOH A 15 -1.057 2.545 11.391 1.00 49.99 O
ANISOU 68 O HOH A 15 6356 6344 6294 -19 13 -16 O
CONECT 46 57
CONECT 55 57
CONECT 57 46 55 60
CONECT 58 59 60 61
CONECT 59 58
CONECT 60 57 58
CONECT 61 58
MASTER 253 0 2 0 0 0 2 6 67 1 7 1
END
mainwin4.py :
from PyQt5 import QtCore, QtGui, QtWidgets
class Ui_MyApp(object):
def setupUi(self, MyApp):
MyApp.setObjectName("MyApp")
MyApp.resize(786, 600)
self.centralwidget = QtWidgets.QWidget(MyApp)
self.centralwidget.setObjectName("centralwidget")
self.lineEdit_input = QtWidgets.QLineEdit(self.centralwidget)
self.lineEdit_input.setGeometry(QtCore.QRect(220, 70, 301, 41))
self.lineEdit_input.setClearButtonEnabled(False)
self.lineEdit_input.setObjectName("lineEdit_input")
self.pushButton_input = QtWidgets.QPushButton(self.centralwidget)
self.pushButton_input.setGeometry(QtCore.QRect(550, 70, 171, 41))
font = QtGui.QFont()
font.setPointSize(14)
font.setItalic(False)
self.pushButton_input.setFont(font)
self.pushButton_input.setCheckable(True)
self.pushButton_input.setObjectName("pushButton_input")
self.label = QtWidgets.QLabel(self.centralwidget)
self.label.setGeometry(QtCore.QRect(50, 70, 151, 41))
font = QtGui.QFont()
font.setPointSize(14)
font.setItalic(False)
self.label.setFont(font)
self.label.setObjectName("label")
self.treeWidget = QtWidgets.QTreeWidget(self.centralwidget)
self.treeWidget.setGeometry(QtCore.QRect(390, 170, 331, 391))
self.treeWidget.setObjectName("treeWidget")
self.treeWidget.headerItem().setText(0, "1")
self.treeWidget.header().setVisible(True)
self.treeView = QtWidgets.QTreeView(self.centralwidget)
self.treeView.setGeometry(QtCore.QRect(50, 170, 331, 391))
self.treeView.setObjectName("treeView")
self.treeView.header().setVisible(True)
self.label_2 = QtWidgets.QLabel(self.centralwidget)
self.label_2.setGeometry(QtCore.QRect(150, 140, 141, 31))
font = QtGui.QFont()
font.setPointSize(12)
font.setBold(True)
font.setWeight(75)
self.label_2.setFont(font)
self.label_2.setObjectName("label_2")
self.label_3 = QtWidgets.QLabel(self.centralwidget)
self.label_3.setGeometry(QtCore.QRect(480, 140, 161, 31))
font = QtGui.QFont()
font.setPointSize(12)
font.setBold(True)
font.setWeight(75)
self.label_3.setFont(font)
self.label_3.setObjectName("label_3")
MyApp.setCentralWidget(self.centralwidget)
self.retranslateUi(MyApp)
QtCore.QMetaObject.connectSlotsByName(MyApp)
def retranslateUi(self, MyApp):
_translate = QtCore.QCoreApplication.translate
MyApp.setWindowTitle(_translate("MyApp", "MyApp"))
self.pushButton_input.setText(_translate("MyApp", "load"))
self.label.setText(_translate("MyApp", "insert PDB code"))
self.label_2.setText(_translate("MyApp", " QTreeView"))
self.label_3.setText(_translate("MyApp", " QTreeWidget"))
main.py :
import sys
from PyQt5.QtWidgets import QApplication, QMainWindow, QMessageBox, \
QTreeWidgetItem
from PyQt5 import QtGui, QtWidgets
from mainwin4 import Ui_MyApp
from Bio.PDB import PDBParser
class MyApp(QMainWindow, Ui_MyApp):
def __init__(self, parent=None):
super(MyApp, self).__init__(parent)
self.setupUi(self)
self.lineEdit_input.setMaxLength(4)
self.lineEdit_input.setPlaceholderText(" 4 characters PDB entry code")
self.lineEdit_input.textChanged.connect(self.textchanged)
self.pushButton_input.setEnabled(False)
self.pushButton_input.clicked.connect(self.load_pdb)
self.pushButton_input.setStyleSheet("background-color: %s " % '#fa6555')
self.model = None
self.treeView.hide()
# self.treeView.setHeaderHidden(True)
self.treeWidget.hide()
def textchanged(self):
if len(self.lineEdit_input.text()) == 4:
self.pushButton_input.setStyleSheet("background-color: %s " % '#9de650')
self.pushButton_input.setEnabled(True)
self.treeView.show()
self.treeWidget.show()
else:
self.pushButton_input.setStyleSheet("background-color: %s " % '#fa6555')
self.pushButton_input.setEnabled(False)
# TO CLEAR QTreeView
if self.model != None :
# self.model.clear() # works
self.model.setRowCount(0) # works
# TO CLEAR QTreeWidget
# self.treeWidget.clear() # works
self.clearQTreeWidget(self.treeWidget) # works
self.treeView.hide()
self.treeWidget.hide()
def load_pdb(self):
self.pushButton_input.setEnabled(False)
self. parser = PDBParser(PERMISSIVE=1, QUIET=1)
try:
print(self.lineEdit_input.text()+'.pdb')
self.structure = self.parser.get_structure(self.lineEdit_input.text(), self.lineEdit_input.text()+'.pdb')
print('load')
# self.read_bfact()
self.create_tree()
except:
self.msg = QMessageBox(self)
self.msg.setIcon(QMessageBox.Critical)
self.msg.setText("Error")
self.msg.setInformativeText('no PDB found')
self.msg.setDetailedText("details")
self.msg.setWindowTitle("Error")
self.msg.show()
self.lineEdit_input.setText('')
def create_tree(self):
self.model = QtGui.QStandardItemModel()
self.rootNode = self.model.invisibleRootItem()
self.stru = QtGui.QStandardItem(self.structure.id)
self.rootNode.appendRow(self.stru)
self.treeView.setModel(self.model)
# self.treeView.expandAll()
for model in self.structure:
self.mod = QtGui.QStandardItem(str(model.id+1))
self.stru.appendRow(self.mod)
for chain in model:
self.cha = QtGui.QStandardItem(str(chain.id))
self.mod.appendRow(self.cha)
for residue in chain:
self.res = QtGui.QStandardItem(str(residue.get_resname()))
self.cha.appendRow(self.res)
for atom in residue:
self.ato = QtGui.QStandardItem(str(atom.id +' '+ str(atom.get_serial_number())))
self.res.appendRow(self.ato)
# self.treeView.expandAll()
self.items = []
self.struct = QTreeWidgetItem([str(self.structure.id)])
for model in self.structure:
item = QTreeWidgetItem([str(model.id+1)])
self.struct.addChild(item)
for chain in model:
child = QTreeWidgetItem([str(chain.id)])
item.addChild(child)
for residue in chain:
child2 = QTreeWidgetItem([str(residue.get_resname())])
child.addChild(child2)
for atom in residue:
child3 = QTreeWidgetItem([str(atom.id +' '+ str(atom.get_serial_number()))])
child2.addChild(child3)
self.items.append(self.struct)
self.treeWidget.insertTopLevelItems(0, self.items)
# self.treeWidget.expandAll()
def clearQTreeWidget(self, tree):
iterator = QtWidgets.QTreeWidgetItemIterator(tree, QtWidgets.QTreeWidgetItemIterator.All)
while iterator.value():
iterator.value().takeChildren()
iterator +=1
i = tree.topLevelItemCount()
while i > -1:
tree.takeTopLevelItem(i)
i -= 1
if __name__ == '__main__':
app = QApplication(sys.argv)
myapp = MyApp()
myapp.show()
try:
sys.exit(app.exec_())
except SystemExit:
print('Closing Window...')
我尝试使用 QTreeView 和 QTreeWidget 创建 PDB 对象的可视化，脚本在其同一目录中加载 pdb 文件（如果文件被调用则插入 1111 1111.pdb） .然后按下 LOAD 按钮可视化其结构，如果 PDB 进入代码输入 window 被取消，则两个可视化树将用此代码擦除：
# TO CLEAR QTreeView
if self.model != None :
# self.model.clear() # works
self.model.setRowCount(0) # works
# TO CLEAR QTreeWidget
# self.treeWidget.clear() # works
self.clearQTreeWidget(self.treeWidget) # works
不确定这是使用 QTreeView 和 QTreeWidget
但至少我掌握了如何清除它们