[PyMOL] Printing Protein Surface residues

2015-05-21 Thread Vinod Devaraji
Hi All I have a task in hand where need your suggestions and comments Task is to print list of solvent exposed surface amino acids or protein surface amino acids . By searching I had found this script http://www.pymolwiki.org/index.php/FindSurfaceResidues which select the residues on the surfac

Re: [PyMOL] Printing Protein Surface residues

2015-05-22 Thread Vinod Devaraji
j in objectlist: cmd.get_area(selection='%s'%obj, load_b=1) >> # this writes the area into the b-factor field >> python end >> >> # print info >> print 'MODEL', 'CHAIN', 'RESN', 'RESI', 'NAME', 'ARE

[PyMOL] Need help to get SASA for individual Amino Acids

2015-08-24 Thread Vinod Devaraji
Hi All I doing one task with pymol where I need to calculate Solvent Accessible Surface Area for individual residues numbers. I tried with get_area command but little confused on how to put it for individual residues . Could any one please suggest command or script to do it ? Any suggestions

Re: [PyMOL] Need help to get SASA for individual Amino Acids

2015-08-24 Thread Vinod Devaraji
ll') # just to check that the sum of sasa per > residue equals the total area > > > Please let us know if you have doubts about the above script. > > Cheers, > Osvaldo. > > On Mon, Aug 24, 2015 at 3:46 AM, Vinod Devaraji < > vinod.devar...@schrodinger.com