Re: [PyMOL] PyMOLWiki Update

2014-10-20 Thread Justin Lecher
On 20/06/14 17:45, Jason Vertrees wrote: Hi Suzanne, Everything should look and act exactly like it has in the past, including the address. Cheers, -- Jason Hi, I just saw some weirdness when I try to access https://www.pymolwiki.org/ That doesn't look like pymol stuff. Cheers,

[PyMOL] RMSD

2014-10-20 Thread Cedric
Hi, I was comparing two very similar structures and I got the following results: align pdb1, pdb2, cycles=0 0.38 align pdb1, pdb2 and name ca, cycles=0 0.05 align pdb1, pdb2 and name ca+cb+c+n, cycles=0 0.07 align pdb1, pdb2 and name ca+cb+c+n+o, cycles=0 9.8 I wonder why the addition of

Re: [PyMOL] RMSD

2014-10-20 Thread Thomas Holder
Hi Cedric, you probably include random waters with name o. Try adding ... and polymer to your selection string. Cheers, Thomas On 20 Oct 2014, at 11:16, Cedric patrick.coss...@inbox.com wrote: Hi, I was comparing two very similar structures and I got the following results: align

Re: [PyMOL] RMSD

2014-10-20 Thread Cedric
Hi Thomas, Thank you, I tried that and it is now 1.9A, still seems high when the overall RMSD is 0.38 ! But, that is definitely something I will keep in mind in the future when calculating the RMSD. Cedric -Original Message- From: thomas.hol...@schrodinger.com Sent: Mon, 20 Oct

Re: [PyMOL] RMSD

2014-10-20 Thread Thomas Holder
Hi Cedric, I suggest to create an alignment object, then you see which atoms got paired. http://pymolwiki.org/index.php/Align#Alignment_Objects Hope that helps. Cheers, Thomas On 20 Oct 2014, at 11:44, Cedric patrick.coss...@inbox.com wrote: Hi Thomas, Thank you, I tried that and it

Re: [PyMOL] h_add breaks surface?

2014-10-20 Thread Thomas Holder
Markus, I'll create an account for you. Cheers, Thomas On 20 Oct 2014, at 14:33, Markus Heller mhel...@cdrd.ca wrote: Would if I could. How do I sign up for the PyMOLWiki? THanks Markus -Original Message- From: Thomas Holder [mailto:thomas.hol...@schrodinger.com] Sent:

[PyMOL] Crash on launch with r4098

2014-10-20 Thread Matthew Baumgartner
Hi, I updated pymol to r4098 and now it crashes on launch. I'm assuming that it was something I did, but I can't figure out what. Thanks for your help, Matt $ pymol Traceback (most recent call last): File /usr/local/lib/python2.7/dist-packages/pymol/__init__.py, line 71, in module

Re: [PyMOL] PyMOLWiki Update

2014-10-20 Thread Sampson, Jared
Hi Justin - I see this same “weirdness using the https protocol. If you remove the ’s’ from ‘https’ in your URL, however, it will load properly. It must be on a shared server that has something goofy happening with the handling of https traffic. I think Jason is still the admin for the

Re: [PyMOL] Crash on launch with r4098

2014-10-20 Thread Thomas Holder
Hi Matt, looks like a partial build after header changes. Please remove the build directory and rebuild (our setup.py is not tracking header dependancies when doing incremental builds). Thanks, Thomas On 20 Oct 2014, at 19:10, Matthew Baumgartner mp...@pitt.edu wrote: Hi, I updated pymol