Re: [PyMOL] Chi torsion angles measurements on multiple structures

2018-04-04 Thread Jared Sampson
Hi Baptiste -  You can loop through your loaded objects within a Python code block for this.   This works for me with a different set of related structures: ``` python dihedral = ['N', 'CA', 'CB', 'CG'] for obj in cmd.get_names():     residue = "/{}//A/288/".format(obj)     angle = cmd.get_dihedr

Re: [PyMOL] Algorithm used to retrieve ss ?

2018-04-04 Thread Thomas Holder
Hi Hélène, It's a custom algorithm developed by Warren DeLano. Some of the details are discussed in this post: https://sourceforge.net/p/pymol/mailman/message/7561993/ The implementation is in SelectorAssignSS in layer3/Selector.cpp: https://sourceforge.net/p/pymol/code/HEAD/tree/trunk/pymol/lay

[PyMOL] Algorithm used to retrieve ss ?

2018-04-04 Thread Hélène Kabbech
Dear pymol users, For a project based on proteins secondary structures (ss), I need to know which algorithm/program does PyMol use to retrieve secondary structures from a pdb file (when the ss datas are not display in the file). I retrieved ss using dssp program, and for some pdb files, it shows

[PyMOL] Chi torsion angles measurements on multiple structures

2018-04-04 Thread Baptiste Legrand
Dear all, I wounder to know about possible ways to measure chi1, chi2 dihedral angles on a set of structures. For example, I opened 10 pdb files and the phi_psi command allows us to easily obtain the phi and psi values: Ex: To obtain the phi and psi values of the residue 288 of the chain A in