Re: [PyMOL] pymol2 does not do the same thing as pymol<2

2018-03-16 Thread Fabrice Carles
Thanks, I have all my answers ! Fabrice Carles - PhD student Structural Bioinformatics & Chemoinformatics, Institut de Chimie Organique et Analytique (ICOA) University of Orleans - France 2018-03-16 13:41 GMT+01:00 Thomas Holder : > Hi Fabrice, > > Interesting

Re: [PyMOL] pymol2 does not do the same thing as pymol<2

2018-03-16 Thread Thomas Holder
Hi Fabrice, Interesting observation. PyMOL reads "metalc" bonds from mmCIF files and represents them as "zero order" bonds. Apparently this breaks double bond detection in your given example. This is something we need to fix. Possible workarounds: 1) Load .pdb files instead of .cif files 2)

[PyMOL] pymol2 does not do the same thing as pymol<2

2018-03-16 Thread Fabrice Carles
Dear pymol users, I would like to know if there is a way to change pymol2 settings in order to fit older version. My problem is very simple. Pymol 2 and pymol 1.8 do not provide the same results. I download and select the ATP molecule in both pymol 1.8.6.0. and 2.0.7: cmd.fetch('1atp')