Hi, My major problem is hydrogen bonds (hb). Under each hb1, or hb2, .. hb10 there are many hbs, (not just one individual hb). I want a list of them for each hb. Now how can I use "get " to see all hbs in hb1, etc? I need to make a table of all hydrogen bonds for this pse.
Maia Tsjerk Wassenaar wrote: > > Hi, > > Well, a .pse file indeed is a kind of dump. But it does contain the > information, of which most can be extracted. To begin with, it is > quite trivial to get a listing of the settings (get) and of the view > (get_view). It is also possible to obtain the color per atom, for > which code is somewhere in the archives and maybe on the wiki. The > real problem is the representation. All in all, it is a bit > cumbersome. So before attempting to script something... how necessary > is it? What's the underlying problem to be solved? > > Cheers, > > Tsjerk > >> On Mar 13, 2011 11:04 AM, "Schubert, Carsten [PRDUS]" >> <[email protected] <mailto:[email protected]>> wrote: >> >> Maia, >> >> as far as I know a .pse is just a dump of the internal data structure of >> Pymol. You can save the molecules contained in the session, but the >> graphical representation and any modifications would need to be >> recreated. >> Hopefully Jason proves me wrong ... >> >> Cheers, >> >> Carsten >> >> > -----Original Message----- > From: Maia Cherney >> [mailto:[email protected] <mailto:[email protected]>] > Sent: Sunday, >> March ... >> ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ PyMOL-users mailing list ([email protected]) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/[email protected]
