Re: [PyMOL] problem with alter chain Id

2017-03-01 Thread Thomas Holder
clearing the "rank" property also works for me, then the script should not depend on retain_order anymore: currentName = "%s_%s" % (solutionPymolString, currentChain) cmd.alter(currentName, "chain='%s';rank=-1" % currentChain) However, I think there is also a problem with your script, yo

Re: [PyMOL] problem with alter chain Id

2017-03-01 Thread Thomas Holder
Hi Gregor, Looks like retain_order is on for her. This should fix it: PyMOL> set retain_order, off https://pymolwiki.org/index.php/Retain_order Cheers, Thomas On 01 Mar 2017, at 10:28, Gregor Hagelüken wrote: > Hi, > > I use a python script to copy an object, rotate it, alter its chain ID

[PyMOL] problem with alter chain Id

2017-03-01 Thread Gregor Hagelüken
Hi, I use a python script to copy an object, rotate it, alter its chain ID and then merge it with the original object. Here is the relevant part of my script: angle = 360.0/monomers chains = ["A", "B", "C", "D", "E", "F", "G", "H", "I", "J", "K",

Re: [PyMOL] Execution time of color command

2017-03-01 Thread Leonhard Heizinger
Hi Thomas, Thank you for your answer! Your solution works great! It's very handy to directly set RGB colors using alter! Thanks for your help! Best, Leonhard On 28.02.2017 16:41, Thomas Holder wrote: > Hi Leonhard, > > Very interesting analysis. I'm wondering if this slowdown actually scale

[PyMOL] sampling from the protein data bank

2017-03-01 Thread Ahmad Abdelzaher
I'm looking for a python script to sample from the entire pdb. I want to select pdb's with a certain attribute, or rule out a certain attribute, for example membrane proteins. I also want to rule out pdb's that have metal atoms in them. I would appreciate all of your help. Sincerest regards.