[PyMOL] Calculating % secondary structure

2010-07-07 Thread Prija Ponnan
Hello Can we calculate percentage secondary structural element using Pymol or please suggest me some other program for this purpose Prija -- Prija Ponnan -- This SF.net email is sponsored by Sprint What will you do

Re: [PyMOL] Calculating % secondary structure

2010-07-07 Thread Tsjerk Wassenaar
Hi Prija, You can do it with a bit of Python ss = [ i.ss for i in cmd.get_model(n. ca).atom ] print Helix content: %5.2f%% % (100.0*ss.count(H)/len(ss)) print Sheet content: %5.2f%% % (100.0*ss.count(S)/len(ss)) The first line gets a list of the secondary structure flags of the selection n. ca.