[PyMOL] loading a file whose name is stored in a variable

2016-10-20 Thread Subha K
Hi there, If the base name of my file is stored in a variable, how can I load the file using the variable? Eg., My filename is "File10.pdb" and I have, X = File10 I tried loading it using, cmd.load ( X+".pdb", X), but it doesn't seem to work. Sorry for posting a very basic question. Thanks, Su

Re: [PyMOL] loading a file whose name is stored in a variable

2016-10-20 Thread Gabriel Marques
Is there an error output? I could see it not working if File10 is not located in the present working directory. If you are running the script by using the load command in pymol you can type pwd or cmd.pwd() on the input line to see the present working directory. The best bet to fix the problem i

Re: [PyMOL] loading a file whose name is stored in a variable

2016-10-20 Thread Subha K
Hi Gabriel, Thanks for that suggestion. You are correct, the file is missing, but I don't understand why my previous shutil.copy command is not working. Thanks, Subha On Thu, Oct 20, 2016 at 11:38 AM, Gabriel Marques < gabriel.marq...@schrodinger.com> wrote: > Is there an error output? I could

[PyMOL] Pair_fit syntax

2016-10-20 Thread Subha K
Hi there, Could somebody please help me with the correct syntax for pair fit? I tried this, but this doesn't work. pairfit (obj2 and resi 256-510), (onj1 and resi 1-255), [(obj2 and resi 1-255), (obj1 and resi 256-510), [(obj2 and resi 766-1020), (obj1 and resi 511-765), [(obj2 and resi 511-765)