Re: [PyMOL] Number of parameters is off for cmd.set_view?

2020-04-29 Thread Tamas Hegedus
please see https://pymolwiki.org/index.php/Set_View set_view (...)  where ... is 18 floating point numbers cmd.set_view(string-or-sequence view) !!! you provided 18 floating point numbers here and not a string or sequence. On 4/29/20 8:40 PM,

[PyMOL] Number of parameters is off for cmd.set_view?

2020-04-29 Thread leifepeterson
In the GUI command line, I entered get_view and got the following set_view (\ -0.219962522,0.763355076, -0.607366502,\ 0.878539860,0.425617725,0.216765702,\ 0.423973948, -0.485916167, -0.764265418,\ 0.001047601,0.000947788, -48.208724976,\

[PyMOL] Number of bonds separating two atoms

2017-06-19 Thread András Ferenc WACHA
Dear PyMOL Users, I am looking for a command which can determine the separation of two atoms in terms of chemical bonds. I would like to use it in a script to assign atom types for peptide molecules. Does any of you have an idea for that? Thanks in advance, Andras Wacha -- András Ferenc

Re: [PyMOL] Pymol, number and label the helices

2014-01-21 Thread Gefei Chen
Hi guys, Thank you very much for the helps, and the Label command and the pseudoatom are very powerful, now I can add labels what I want :) Cheers, Gefei On 21 Jan 2014, at 03:37, Jason Vertrees jason.vertr...@schrodinger.com wrote: Gefei, Please read about labels

[PyMOL] Pymol, number and label the helices

2014-01-20 Thread Gefei Chen
Hi guys, I am now preparing some proteins structure figures, and I think Pymol is a good program. But now something happened to me, my protein just has 5 helices, and I want to number and label the helices as H1, H2 …and H5 in the figure with using Pymol directly (not photoshop), but I am

Re: [PyMOL] Pymol, number and label the helices

2014-01-20 Thread Jason Vertrees
Gefei, Please read about labels (http://www.pymolwiki.org/index.php/Label; and http://www.pymolwiki.org/index.php/Category:Labeling) and pseudoatoms ( http://www.pymolwiki.org/index.php/Pseudoatom). These should help you label what you need to. Cheers, -- Jason On Mon, Jan 20, 2014 at 9:57

Re: [PyMOL] NUmber

2011-09-21 Thread Tsjerk Wassenaar
Hi Suda, Do you mean the number of residues in helix c.q. sheet or the number of helices and the number of sheets? The former is pretty easy. You can do select ss s select ss h to get the numbers for sheet and helices, respectively. To use the numbers in a script, use cmd.select('ss s') and

[PyMOL] NUmber

2011-09-20 Thread Suda Ravindran
Hi, I would like to know if there is any option in PyMol to count the number of helices and sheets present in the structure. Please help me out.. -Suda -- All the data continuously generated in your IT

[PyMOL] number of h-bonds

2009-10-26 Thread Michael Zimmermann
Dear PyMOL users, I was using Action - find - polar interactions within selection to get an idea about the hydrogen bonds and other polar interactions in some molecules. I would like to compare different conformations of a certain molecule and one metric could be the number of pair returned by

Re: [PyMOL] number of h-bonds

2009-10-26 Thread Warren DeLano
Hello Michael, Unfortunately, there is no programmatic way to get this information out of PyMOL -- my apologies! Cheers, Warren -Original Message- From: Michael Zimmermann [mailto:micha...@iastate.edu] Sent: Mon 10/26/2009 9:04 PM To: pymol-users Subject: [PyMOL] number of h-bonds