Re: [PyMOL] Access to pymol commands from the terminal

2014-09-11 Thread James Starlight
I guess I've passed superimpoition- it works great - with the one exception- after fitting to ref.pdb the last colum (consisted of the atom names like C, N, O etc) from the each fitted mobile.pdb has been removed. I need to keep this column on the resulted pdb because I'll use this pdb as the initi

[PyMOL] PyMol_Gomacs_plugin

2014-09-11 Thread niyaz.sabir
Dear, PyMol-Gromacs experts, I used to use PyMol Dynamics plugin to make some MDs. It makes me more than sad I always get notes like: - NOTE 1 [file em.mdp]: You are using a plain Coulomb cut-off, which might produce artifacts. You might want to consider usi

Re: [PyMOL] Access to pymol commands from the terminal

2014-09-11 Thread Sampson, Jared
Hi James - What version of PyMOL are you using? For me, using Open Source PyMOL 1.7.2.0, a typical PDB file I tested ends up with more information in that column, not less, after saving from PyMOL: Before: ATOM 1312 NH1 ARG A 198 0.544 14.093 19.655 1.00 34.61 N After: A

Re: [PyMOL] Residue-residue contacts from PDB

2014-09-11 Thread bhumika arora
Thanks you Jared. I will try CCP4 and get back to you. Regards, Bhumika. On Wed, Sep 10, 2014 at 12:20 AM, Sampson, Jared wrote: > Hi Bhumika - > > Have a look at the CCP4 program NCONT: > http://www.ccp4.ac.uk/html/ncont.html. > > You can run it within the CCP4 GUI or from the command line

[PyMOL] [Error] Add morph into eMovie

2014-09-11 Thread Chen Zhao
Dear all, I have a problem with adding morph into eMovie. I made a morph between two states using other softwares and load it into pymol by "load previously created morph". But when I tried to add morph to eMovie, I got the following error message: Error: 2 Exception in Tk callback Function: >

[PyMOL] No wheel operation for the slab

2014-09-11 Thread Joel Tyndall
Hi all, I seem to be losing the use of the wheel for the slab adjustment. To be honest I find it difficult to replicate or work out what I do to turn it off (or on). Anyone else seen this before? Windows 7, pymol 1.7.2.0 (64 bit) J _ Joel Tyndall, PhD Asso

Re: [PyMOL] No wheel operation for the slab

2014-09-11 Thread Jed Goldstone
Yes, I've noted that too. Somewhat frustrating. Windows 7, pymol 1.6.0.0 (64 bit) (yes, I know I need to update) On 9/11/2014 10:42 PM, Joel Tyndall wrote: > Hi all, > > I seem to be losing the use of the wheel for the slab adjustment. To be > honest I find it difficult to replicate or work out