Re: [PyMOL] Sphere_quality

2010-09-20 Thread Vitaly Vostrikov
As a short follow up on my previous message: it appears to be possible to adjust the sphere quality for pseudoatom objects independently from the structure. Hopefully somebody will find this information useful (I know I did :-) ). fetch 2kqt pseudoatom pseudo, pos=[0,0,-12] show spheres, pseud

Re: [PyMOL] cd in windows

2010-09-20 Thread Cun Zhang
cd "test space" A nice way is,To Push down the TAB key(maybe need several times) after inputing "test",the left will try complete all. > cd test Cheers Message: 1 > Date: Mon, 20 Sep 2010 11:20:10 -0400 > From: "David A. Horita" > Subject: [PyMOL] cd in windows > To: > Message-ID: >

Re: [PyMOL] cd in windows

2010-09-20 Thread Edward A. Berry
My apologies- having never written a pymol script in my life, it never occurred to me that your "cd" was a pymol command. All my examples were from the DOS shell. Still it may be helpful that the DOS 8.3 (Progra~1) names work. You can get the short name of your directory by DIR/x (from the dos she

Re: [PyMOL] cd in windows

2010-09-20 Thread David A. Horita
Thanks for the replies/suggestions. Looks like I may need to upgrade from v1.1, but: cd \"program files", "\program files", and \program?files give a variant of PyMOL>cd \"program files" Traceback (most recent call last): File "C:\Program Files\DeLano Scientific\PyMOL/modules\pymol\externing.

Re: [PyMOL] cd in windows

2010-09-20 Thread Edward A. Berry
David A. Horita wrote: > Hi, > How does one change directories in Windows when the directory name has a > space in it? I've tried double and single quotes as well as backslash > space (I'd like to run a script that's in such a directory). > Thanks > David These all work for me: >cd \"program file

Re: [PyMOL] cd in windows

2010-09-20 Thread Roger Rowlett
David, Use double quotes or start typing and autocomplete with the key. Cheers. On 9/20/2010 11:20 AM, David A. Horita wrote: Hi, How does one change directories in Windows when the directory

[PyMOL] cd in windows

2010-09-20 Thread David A. Horita
Hi, How does one change directories in Windows when the directory name has a space in it? I've tried double and single quotes as well as backslash space (I'd like to run a script that's in such a directory). Thanks David - David A. Horita, Ph.D. Department of Biochem

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

2010-09-20 Thread Jason Vertrees
Hi Martin, > atoms within less than VdW distance. Is there an easy, very low-level, PyMOL > way of fixing this? Can the sculpting wizard be used for this? Yes, after you place the sidechain and have the new structure (via the "apply" function) you can then apply sculpting. It would look somethi

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

2010-09-20 Thread Martin Hediger
Dear All Just one little thing, say I obtain a couple of rotamers by mutating a sidechain. It happens that some of them are sterically not favourable, i.e. atoms within less than VdW distance. Is there an easy, very low-level, PyMOL way of fixing this? Can the sculpting wizard be used for thi