Re: [PyMOL] pymol castp mesh surface representation

2012-05-21 Thread Jason Vertrees
Christian, Can you provide us with sample data? Cheers, -- Jason On Mon, May 21, 2012 at 11:59 AM, Christian Roth wrote: > Dear all, > > I used Castp for a pocket analysis. If i displax a mesh I have a continous > representation. If I use surface representation just parts are displayed, > prob

[PyMOL] pymol castp mesh surface representation

2012-05-21 Thread Christian Roth
Dear all, I used Castp for a pocket analysis. If i displax a mesh I have a continous representation. If I use surface representation just parts are displayed, probably as a result that just parts of the aminoacids are used to define the pocket, I guess. Is it possible to create a surface like

Re: [PyMOL] Clashes cut off

2012-05-21 Thread Thomas Holder
Hi Doran, this is a python script, so you must load it with "run". http://www.pymolwiki.org/index.php/Running_Scripts Use the "get" command to query default values of settings: PyMOL>get sculpt_vdw_vis_max get: sculpt_vdw_vis_max = 0.3 So the complete procedure should look like this: ru

Re: [PyMOL] Clashes cut off

2012-05-21 Thread doranhen
Hi Thomas, Thank you for your reply. I tried running the show_bumps.py script I copied from PymolWiki using @,however pymol gives me the following error : NameError: name 'show_bumps' is not defined How can I define it? Also, do you know what are the values that sculpt_vdw_vis_max, mid and min

Re: [PyMOL] Clashes cut off

2012-05-21 Thread Thomas Holder
Hi Arne, this works for any kind of molecule. Cheers, Thomas Arne Dieckmann wrote, On 05/20/12 22:56: > Hi Thomas, > > is this a general purpose script or does it only work for proteins/amino > acids? > > > Cheers, > Arne > > - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -