Re: [PyMOL] how to get an atom coordinates information

2016-02-25 Thread Thomas Holder
Hi Carsten & Albert, There actually is a function for getting the coordinates of a single atom. Example: PyMOL>print cmd.get_atom_coords('first (elem O)') Cheers, Thomas On 25 Feb 2016, at 09:54, Schubert, Carsten [JRDUS] wrote: > Albert, > > there is no command line tool for that purpos

Re: [PyMOL] how to get an atom coordinates information

2016-02-25 Thread Schubert, Carsten [JRDUS]
Albert, there is no command line tool for that purpose per se, however you can use the iterate command for that purpose. http://pymolwiki.org/index.php/Iterate#Example:_Get_coordinates There are other ways to do this but this will get you going more quickly. -Original Message- From: A

[PyMOL] how to get an atom coordinates information

2016-02-25 Thread Albert
Hello: I would like to know the XYZ information of a specific atom. I am just wondering how can we do this? Is there any command line? thank you very much Albert -- Site24x7 APM Insight: Get Deep Visibility into Applic

[PyMOL] Electrostatic Map for a molecule containing a citrulline

2016-02-25 Thread Andreas Warnecke
Dear all, a colleague is interested in generating an electrostatic map of a protein containing a citrulline. Does anybody have any experience with this and could recommend any approach? Cheers, Andreas -- Site24x7 APM In

Re: [PyMOL] Alignment of two proteins

2016-02-25 Thread Mohsen Chitsaz
Hi Amin, It worked. Many Thanks Cheers Mohsen From: a...@imtech.res.in [mailto:a...@imtech.res.in] Sent: Thursday, 25 February 2016 10:24 PM To: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] Alignment of two proteins Hi. I think align 4mt1 & chain A, 3aob & chain B should work. Ami

Re: [PyMOL] Alignment of two proteins

2016-02-25 Thread amin
Hi. I think align 4mt1 & chain A, 3aob & chain B should work. Amin. On 2016-02-25 17:02, Mohsen Chitsaz wrote: > Hi Julian, > > I have two homotrimer proteins, i.e. 3aob and 4mt1. I want to align chain A > of 4mt1 to chain B of 3aob. How to tell Pymol to align a specific chain or >

Re: [PyMOL] Alignment of two proteins

2016-02-25 Thread Mohsen Chitsaz
Hi Julian, I have two homotrimer proteins, i.e. 3aob and 4mt1. I want to align chain A of 4mt1 to chain B of 3aob. How to tell Pymol to align a specific chain or part of a protein, in my case chain A of 4mt1, to a specific chain or part of another protein, in my case chain B of 3aob? Cheers Mo