Re: [PyMOL] Mutagenesis How many rotamers per amino acid

2010-09-14 Thread Martin Hediger
I'm beginning to see things. When I issue: for value in rot_lib[('ASP', 40, -100)]: rl.write(str(value) + '\n') rot_lib is being initiated by rot_lib = pickle.load(open("/Applications/PyMOLX11Hybrid.app/pymol/data/chempy/sidechains/sc_bb_dep.pkl",'r')) I get the following output: {('N'

[PyMOL] Educational-use-only PyMOL builds

2010-09-14 Thread Jason Vertrees
Greetings, The educational version of PyMOL v1.3r1 is now ready for download. Keeping in the tradition of DeLano Scientific before us, we offer educational-use-only PyMOL builds available at no cost to full-time students and teachers for classroom instruction, homework assignments, and to provide

Re: [PyMOL] Problem when running APBS 1.1.0 in Pymol 1.3 - protein is misplaced

2010-09-14 Thread Afonso Duarte
> Dear All, > > I am running APBS 1.1.0. via the "APBS Tools2" plugin on Pymol 1.3 (either on > Linux or Vista). > As usual i fetch a pdb structure and then do a "set grid" and then "run APBS". > This works fine for most of the proteins I am working on, however I found out > that in some of the p

Re: [PyMOL] Set cartoon_transparency bug?

2010-09-14 Thread Jason Vertrees
Hi Sean, Thanks for posting this. I also encountered and took note of this bug when making the figures for your script. Cheers, -- Jason On Mon, Sep 13, 2010 at 4:55 PM, Sean Law wrote: > Hi PyMOLers, > > I think there is a bug in PyMOL regarding the "set cartoon_transparency" > setting.  Acc

Re: [PyMOL] Problem when running APBS 1.1.0 in Pymol 1.3 - protein is misplaced

2010-09-14 Thread Michael Lerner
It appears that PyMOL is writing out an improperly-formated PDB file here (the coordinate sections do not start at the correct columns). I'm looking into it. Thanks, -Michael On Tue, Sep 14, 2010 at 10:42 AM, Afonso Duarte wrote: > > Dear All, > > I am running APBS 1.1.0. via the "APBS Tools2"