Re: [PyMOL] trying to build cyclic peptides with PyMOL

2008-02-15 Thread Kathleen Pratt
For an analytical solution to the cyclic peptide problem, see N Go and HA Scheraga, Macromolecules 6, 273 (1973). For an application to modeling of the cyclic peptide gramicidin S, see M Dygert, N Go and HA Scheraga Macromolecules 8, 750-761, 1975. Kathleen P. Pratt, Ph.D. Assistant Member Puge

Re: [PyMOL] Command-line arguments when using PyMOL to launch ascript

2008-02-15 Thread DeLano Scientific
In the current open-source and beta builds (1.1), pymol -c script.py -- arg1 arg2 should give a sys.argv of ['script.py', 'arg1', 'arg2'] paralleling the behavior of Python, given similar inputs: python script.py arg1 arg2 Cheers, Warren PS. the "3D" after the equals sign is annoying mailin

Re: [PyMOL] Command-line arguments when using PyMOL to launch a script

2008-02-15 Thread Michael Lerner
Hi, First, the initial error you were seeing was a syntax error: > from sys import argv > my_argv =3D argv[argv.index("--"):] > print my_argv[1], my_argv[2] is failing because of the word "3D" Second, that used to fail on Linux systems anyway (it worked on some other systems). I tend to use opt

[PyMOL] Command-line arguments when using PyMOL to launch a script

2008-02-15 Thread Josep Maria Campanera Alsina
Hi all, I'd like to execute pymol like: pymol -c script.py arg1 arg2 arg3 arg4. (1) Reading into PyMolWiki http://www.pymolwiki.org/index.php/Scripting, I've learned that I have to type: pymol -c script.py -- arg1 arg2 arg3 arg4 and then add to my script: from sys import argv my_argv =3D argv[a