[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

Re: [PyMOL] Printing Protein Surface residues

2015-05-21 Thread Osvaldo Martin
Hi Vinod The exposed residues are stored in the selection “exposed_res_02”. You can iterate http://www.pymolwiki.org/index.php/Iterate this selection to get several properties like the residues names, for example the command: iterate exposed_res_02, resn will return the name of the residues,

Re: [PyMOL] Printing Protein Surface residues

2015-05-21 Thread Andreas Warnecke
Hej, depends on what you want, single atoms or residues. You can output the available surface are for every atom and then decide which ones are accessible based on your cutoff stringency. Here is some code that will print the info in PyMOL, alternatively you could modify it to print to a file