[PyMOL] new to pymol

2015-08-28 Thread Chi Celestine
Hi, I am very new in pymol and will like to know how know the display in the lower command line works. However, i can see how to make it active. I have pymol v1.7.6.4 Thanks Celestine -- ___

[PyMOL] RMSD

2017-03-12 Thread Chi Celestine
Dear All, I am relative new with PyMol and I am having trouble finding my way around. I wish to perform a rmsd for each atom from 1) a boundle of 20 conformers 2) two different align structures, in PyMol such that the results of each atom pair can be displayed or plotted as a function of the

Re: [PyMOL] Is there a way to "count" hydrogen bond interactions?

2017-05-19 Thread Chi Celestine
Hi Thomas, I am also interesting in getting bond distances between two pairs of molecule. I tried running the commands to suggested but I get an error message e.g When I tried the following (see below) the fist command was well executed but the second gave an error message “ SyntaxError: invalid

Re: [PyMOL] Is there a way to "count" hydrogen bond interactions?

2017-05-19 Thread Chi Celestine
m there ("run" command or "File > Run Script..." from the menu). After running the script, you can use the "get_raw_distances" command. Cheers, Thomas On May 19, 2017, at 2:26 PM, Chi Celestine mailto:chi.celest...@phys.chem.ethz.ch>> wrote: Hi Thomas, I