Re: [PyMOL] Extract all phi and psi angles

2020-05-15 Thread Neena Susan Eappen
Thank you Tamas, for suggesting that great MDanalysis tool, will try it out! Thank you Rob, yes that command worked (phi_psi obj), it gave a list of all backbone dihedral angles! On Sat, 9 May 2020 at 12:45, Tamas Hegedus wrote: > Hi, > > For this type of analysis I would use MDAnalysis (Python

Re: [PyMOL] Extract all phi and psi angles

2020-05-11 Thread Robert Campbell
Hi Neena, If you give a different selection, then phi_psi will give you a list of phi/psi angles for all residues in the selection. For example if your protein object is called "obj_1", then typing phi_psi obj_1 will provide a list of phi_psi values to the terminal: PyMOL>phi_psi obj_1 LYS-3

Re: [PyMOL] Extract all phi and psi angles

2020-05-09 Thread Tamas Hegedus
Hi, For this type of analysis I would use MDAnalysis (Python): https://www.mdanalysis.org/ https://www.mdanalysis.org/mdanalysis/documentation_pages/analysis/dihedrals.html Tamas On 5/9/20 5:08 PM, Neena Susan Eappen wrote: Hi Jarrett, Thank you for your reply. However, that command gives phi

Re: [PyMOL] Extract all phi and psi angles

2020-05-09 Thread Neena Susan Eappen
Hi Jarrett, Thank you for your reply. However, that command gives phi and psi angles for only one atom (when only one atom is selected). Is there one command we can use to extract all phi and psi angles? Thanks, Neena On Mon, 27 Apr 2020 at 22:01, Jarrett Johnson < jarrett.john...@schrodinger.

Re: [PyMOL] Extract all phi and psi angles

2020-04-27 Thread Jarrett Johnson
Hi Neena, Is this command sufficient? https://pymol.org/dokuwiki/doku.php?id=command:phi_psi Best, Jarrett J On Mon, Apr 27, 2020 at 9:45 PM Neena Susan Eappen wrote: > Hello PyMOL users, > > How to extract all peptide dihedral angles (phi and psi) in PyMOL? > > Many thanks, > Neena > ___