Re: [PyMOL] Centre of mass pymol script

2020-11-07 Thread Jeff Saxon
P.S. sorry I ought to further precise my question: From what I have not I can execute pymol in batch mode together with the py script and pdb pymol my.pdb center_of_mass.py -d 'select all;com all' -c >> log.txt which gives me log.txt contained COM for each model in the following format: State

[PyMOL] Centre of mass pymol script

2020-11-07 Thread Jeff Saxon
Dear Pymol Users, I am using the Centre of mass python script found in PymolWIKI with the aim to calculate the centre of mass of the loaded ligand structure. Could you tell me if it would be possible to apply this script on the multi_model pdb loaded in pymol in the similar way and to obtain XYZ