Re: [PyMOL] command question RE printing out distances to text file

2014-06-09 Thread Thomas Holder
Hi Suzanne, you can use the get_distance command. It doesn't generate a distance object but prints the distance to the external window. http://pymolwiki.org/index.php/Get_Distance Cheers, Thomas On 06 Jun 2014, at 23:03, Lapolla, Suzanne M (HSC) wrote: > Fellow Pymol Users: > I may have a

Re: [PyMOL] problem creating a 2D shape from pymol 3D structure using poseview.py

2014-06-09 Thread Thomas Holder
Hi Maryam, the get_viewport command was added in PyMOL 1.5, so I guess you are using an older version and upgrading will solve your problem. Cheers, Thomas On 06 Jun 2014, at 21:30, M. Faridounnia wrote: > Dear Pymolers, > > I was trying to run the posview.py downloaded from pymolwiki > (

Re: [PyMOL] command question RE printing out distances to text file

2014-06-09 Thread Robert Campbell
Hi Suzanne, You can also get the distance printed in the external GUI or terminal window by using the "cmd.distance" version of the command. So either you can assign the distance to a variable and print it or you can print the result directly. Assuming you have two selections, sele1 and sele2 sp

Re: [PyMOL] command question RE printing out distances to text file

2014-06-09 Thread Robert Campbell
Hi Suzanne, You can also get the distance printed in the external GUI or terminal window by using the "cmd.distance" version of the command. So either you can assign the distance to a variable and print it or you can print the result directly. Assuming you have two selections, sele1 and sele2 sp

[PyMOL] Pymol startup error

2014-06-09 Thread KK R
Hi, I am suffering from pymol startup error. It gets terminated with the following error messages: PyMOL(TM) Molecular Graphics System, Version 1.5.0.3. Copyright (c) Schrodinger, LLC. All Rights Reserved. Created by Warren L. DeLano, Ph.D. PyMOL is user-supported open-source softwar

Re: [PyMOL] Visualize Sheets from C-alpha Only Structure

2014-06-09 Thread Sean Law
Hi Darrell, Thanks for the suggestion. To make a long story short, we're publishing a new a method to assign secondary structure elements (SSE) solely from the C-alpha atoms (with ~95% accuracy relative to DSSP). We've compared this to backbone reconstruction schemes and the time to rebuild the

Re: [PyMOL] command question RE printing out distances to text file

2014-06-09 Thread Lapolla, Suzanne M (HSC)
Thank you Robert and Thomas--I will try both and see what works best for my needs. From: Robert Campbell [robert.campb...@queensu.ca] Sent: Monday, June 09, 2014 10:04 AM To: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] command question RE printi