Re: [PyMOL] Run script synchronized

2011-08-29 Thread Martin Hediger
Try this. import subprocess # propkaprocess # shell=False controls that the process remains in the same thread. propkap = Popen(['propka'], stdin=open('1pdb.pdb', 'r') stdout=subprocess.PIPE stderr=subprocess.PIPE shell=False) pr

Re: [PyMOL] Multiple Structure Superposition

2011-08-29 Thread zjxu
Dear Suda, cealign can be used to do structure based superposition PyMOL> cealign target, mobile However, it's a pair-wise based alignment. You have to align two structures each time. Hope this helps. Zhijian Xu Suda Ravindran wrote: > Hi, > > I would like to know how to do structure based super

Re: [PyMOL] Multiple Structure Superposition

2011-08-29 Thread Thomas Holder
Hi Suda and Tsjerk, there is "alignto" which used cealign. There is also in the menu "Action > align > all to this" which uses cmd.util.mass_align (and that uses cmd.align). On Robert Campbell's site there is the "align_all.py" script: http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/ On