from pymol import cmd, cgo from pymol.cgo import * import numpy from random import randint def matriz_inercia(selection): model = cmd.get_model(selection) totmass = 0.0 x,y,z = 0,0,0 for a in model.atom: m = a.get_mass() x += a.coord[0]*m y += a.coord[1]*m z +=...
atom = cmd.get_model(“mol1ha”).atomfor i in range(len(atom)-1):sele1 = ‘mol1///%s/HA’%atom[i].resisele2 = ‘mol1///%s/HA’%atom[i+1].residst=cmd.distance(‘tmp’,sele1,sele2)f.write("%14s %14s %8.3fn"%(sele1,sele2,dst))f.close()The output “dist.txt”...
cmd.exp_path cmd.extend cmd.extendaa cmd.find_pairs cmd.get_atom_coords cmd.get_cifstr cmd.get_color_index cmd.get_color_indices cmd.get_color_tuple cmd.get_coords cmd.get_coordset cmd.get_fastastr cmd.get_frame cmd.get_legal_name cmd.get_model cmd.get_names cmd.get_names_of_type...
首先，让我们准备合适的文件。在制作精确美观的三维结构图时，确保你手头拥有确定的蛋白质三维结构至关重要。这一结构可以是已知的三维结构，如从PDB数据库下载的PDB格式文件；或者，当没有现成的结构文件时，可以通过SWISS-MODEL、phyre2或I-TASSER等工具对蛋白质结构进行预测。一旦获取了结构数据，进入PDB...
选择你自己喜欢的形式即可:PyMOL>colorblue,allPyMOL>colorblue,*#所有原子变成蓝色PyMOL>hidehydroPyMOL>hideh.#所有的氢原子的表示形式被隐藏PyMOL>showcartoon,hetatm#PDB输入文件中被定义为HETATM的PyMOL>showcartoon,het#所有原子显示为cartoon属性选择符PyMOL能够读取PDB,MOL/SDF,Macromodel,ChemPyModel和Tinker...
#所有的氢原子的表示形式被隐藏 PyMOLshow cartoon,hetatm #PDB输入文件中被定义为HETATM的 PyMOLshow cartoon,het #所有原子显示为cartoon 属性选择符 PyMOL能够读取PDB,MOL/SDF,Macromodel,ChemPy Model和Tinker XYZ格式的数据文件。这些格式文件的某些数据区允许PyMOL为原子指定属性。根据这些属性,你可以应用属性...
But I think if you use the Bendix plugin in VMD instead, you can get more information.https:/...
Ex: If "Command script" has "%myvar1%" and if there exists a flow variable "myvar1" or "PyMOL|myvar1", then its value will get substituted in the command script. Note: This node adds a flow variable PyMOL_basename to its 'Variable Outport', so that the basename of the files cre...
How can I get back to the index page after I click on the submit button. I wrote some code he can normally return to the index page but there is no content, that some of the title content and the like... Flask accepting file from HTML form - Bad Request ...
►Model Space and Camera Space on PyMol"get_view" and "set_view" on PyMolView Parameters Auto Adjusted on PyMolZoom In/Out by Moving CameraRotation with Transformation MatrixRotation with "turn" CommandDifference of "turn" and "rotate" Commands...