Re: [PyMOL] modify command in object menu panel

2014-07-16 Thread Thomas Holder
Hi Szuanne, as "modify" implies, no new selection is created, but the current selection is modified. If you want a new selection, do: sele > A > duplicate sel01 > A > modify > ... Hope that helps. Cheers, Thomas On 03 Jul 2014, at 10:49, Lapolla, Suzanne M (HSC) wrote: > Under the Action

Re: [PyMOL] setting fetch_path fails

2014-07-16 Thread Thomas Holder
Hi Martin, are you sure os.path.curdir points to your home? Why not use one of: os.path.expanduser('~/pdbfiles') os.path.expandvars('$HOME/pdbfiles') Cheers, Thomas On 10 Jul 2014, at 06:42, Martin Hediger wrote: > Hi all > > I tried to adjust the 'fetch_path' property such that downloaded P

Re: [PyMOL] How to show atom index or atom serial when clicking on an atom?

2014-07-16 Thread Thomas Holder
Hi Jose, you can overload pymol.menu.pick_menu with your own function. The atom "index" is the only true unique index (within the object, and it's not persistent when removing or sorting atoms). python import pymol.menu original_pick_menu = pymol.menu.pick_menu def custom_pick_menu(cmd, sele1,

Re: [PyMOL] how to get a correct pdb output for atom names ?

2014-07-16 Thread Thomas Holder
Hi Pascal, I cannot reproduce this (I tried your example with almost every PyMOL version from 1.2 to 1.7). Which version do you use? Are you sure those settings are actually used and not changed by some other script? And do you load the original 1EHZ file or a processed PDB, which might already ha

[PyMOL] how to get a correct pdb output for atom names ?

2014-07-16 Thread Pascal Auffinger
Dear pymol users, I came across a problem with pymol writing out pdbfiles containing MG atoms like in 1EHZ. I used the following options since a long time: set retain_order, on set pdb_retain_ids, on set pdb_use_ter_records, off s