Re: [PyMOL] PyMol API equivalent for 'create complex'

2012-02-16 Thread Thomas Holder
Hi Ritu, most of the script looks fine. See below for comments. On 16.02.2012 01:02, Rituparna Sengupta wrote: > Hi, I tried using 'or'. I didn't get any errors, but now that I'm checking > the outputs, I found that I got the area for just the ligand and not the > complex, when I use 'get_area'

Re: [PyMOL] PyMol API equivalent for 'create complex'

2012-02-15 Thread Rituparna Sengupta
Hi, I tried using 'or'. I didn't get any errors, but now that I'm checking the outputs, I found that I got the area for just the ligand and not the complex, when I use 'get_area' on the complex. I noticed I get the area for whichever (ligand/target) is before the "or" operator, not the one after

Re: [PyMOL] PyMol API equivalent for 'create complex'

2012-02-13 Thread Thomas Holder
Hi Ritu, put "ligand" and "target" in one string as an atom selection with a logical "or". cmd.load("ligand.pdb") cmd.load("target.pdb") cmd.create("complex", "ligand or target") Cheers, Thomas Rituparna Sengupta wrote, On 02/13/12 19:28: > Hi, > > I've just started using PyMol, so this may

[PyMOL] PyMol API equivalent for 'create complex'

2012-02-13 Thread Rituparna Sengupta
Hi,  I've just started using PyMol, so this may come across as a stupid question. I'm using Python to make a plugin for a surface area calculation. What is the api version for the command: create complex, ligand target ?(ligand and target are pdb files) I tried using, cmd.create(complex, l