Re: [PyMOL] Installation of Pymol ver 1.8

2016-03-04 Thread bharat gupta
Hi, I am trying to install Pymol ver 1,8 downloaded from this link http://tubiana.me/how-to-install-and-compile-pymol-windows-linux-mac/. I am getting the following error while installing it:- /usr/bin/ld: cannot find -lGLEW collect2: ld returned 1 exit status error: command 'g++' failed with exi

Re: [PyMOL] rms_cur

2015-04-27 Thread bharat gupta
Hi, I am using rms_cur for calculating rmsd for two sets of structures. It works for the first set but for the second one its gives error: PyMOL>rms_cur sel1,sel2 ExecutiveRMS-Error: No atoms selected. Here's the result for set1: PyMOL>select sel1, native and resid 1:53+56:72 and name P and chai

[PyMOL] Chang bond angle

2014-04-28 Thread bharat gupta
Hi, What is the command to set bond angles ?? Regards -- BHARAT -- "Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE Instantly run your Selenium tests across 300+ browser/OS combos. Get

Re: [PyMOL] storing 3d vectors in python

2013-05-06 Thread bharat gupta
Dear Members, I want to know that how can I store a 3d vector in to list , so that I can add them and final create a single vector out of the list. For eg. vec1 = ( 3.2810001-0.021500318 -0.5725001 ) + ( 3.072 0.03114 -0.934499

Re: [PyMOL] cmd.iterate

2013-03-28 Thread bharat gupta
pls find the script attached. On Thu, Mar 28, 2013 at 3:40 PM, bharat gupta wrote: > Hi, > > I am using a cmd.iterate command to get the residue ids for selected > residues. I works fine for a single structure. But when I run the program > with a loop for more than one file, cmd.

Re: [PyMOL] cmd.iterate

2013-03-27 Thread bharat gupta
Hi, I am using a cmd.iterate command to get the residue ids for selected residues. I works fine for a single structure. But when I run the program with a loop for more than one file, cmd.iterate command appends the ids to previous ids... How can I get rid of this - Bharat

Re: [PyMOL] Error while running a python script

2013-03-19 Thread bharat gupta
Hi, I am a newbie in python scripting from pymol. I am getting the following error while using the command cmd.load :- from pymol import cmd print "Current PyMoL Directory:", cmd.pwd() cmd.load ("1A73.pdb") Error:- -- Traceback (most recent call last): File "test.py", line 5, in