RE: [PyMOL] Python commands and variables

2003-08-27 Thread Warren L. DeLano
Yes, but you need to write in Python directly. For example: from pymol import cmd cmd.select("mysel","none") for i in range(10,20): cmd.select("mysel","mysel or resi %d"%i) Would work in a ".py" file. Cheers, Warren -- mailto:war...@delanoscientific.com Warren L. DeLano, Ph.D. Principal Scient

[PyMOL] Python commands and variables

2003-08-27 Thread Shu-Hsien Sheu
Hi, I am new to Pymol with some experiences with Python. I have a basic question which maybe a little stupid. Does Pymal take Python commands in selecting atoms? For instance: i = range(1, 299) select resi i or, further: for i in range(1, 299) select resi i I understand the above can be e

Re: [PyMOL] Re: cannot find _cmd module

2003-08-27 Thread Tina Li
Hello, Ah, I see why now. I did do a full installation, during which the _cmd and sglite extension files, etc. were copied to C:\Python22\Lib\site-packages\pymol. According to comment in C:\Python22\Lib\site.py, a path configuration file must exist in the \site-packages directory indicating which

[PyMOL] Auto-launching in Mac Terminal

2003-08-27 Thread Warren L. DeLano
> I have a Mac TI powerbook running OSX. Every time I launch a new > terminal window, pymol launches. For example, if I open 3 terminal > windows, 3 pymol sessions also start. How do I stop this? What? You don't want PyMOL to launch every possible opportunity? Actually, I've encountered this

RE: [PyMOL] Re: cannot find _cmd module

2003-08-27 Thread Warren L. DeLano
Tina, Did you do a full installation? After running: python setup.py build install python setup2.py (in that order) pymol.bat should just work. There shouldn't be any need to copy anything over, nor should you set PYMOL_PATH -- that is all taken care of automatically with this approach. C

[PyMOL] Re: cannot find _cmd module

2003-08-27 Thread Tina Li
Hello, So I figured that in my $PYMOL_PATH\build\lib.win32-2.2\pymol, there is a _cmd.pyd that's missing in $PYMOL_PATH\modules\pymol. I copied it over, and PyMOL started up, but said that it failed to import the xray module, which however exists in $PYMOL_PATH\modules\pymol, so I don't understand

Re: [PyMOL] problems updating Mandrake packages

2003-08-27 Thread Austin
On 08/26/03 20:09:43, Malcolm Walker wrote: You are missing libz (which is strange, since libpng depends on libz) Oops, sorry. We fixed the problem. Somehow libpng got built without linking to zlib. Odd. Many thanks for your help. Austin -- Austin Acton Hon.B.Sc.

Re: [PyMOL] problems updating Mandrake packages

2003-08-27 Thread Austin
On 08/26/03 20:09:43, Malcolm Walker wrote: You are missing libz (which is strange, since libpng depends on libz) You may need the development package too (zlib1-devel) [aus...@gamma373-165 austin]$ rpm -q zlib1 zlib1-1.1.4-8mdk [aus...@gamma373-165 austin]$ rpm -q zlib1-devel zlib1-devel-1.1.