Re: [PyMOL] How to export secondary structure information from a PDBusing PyMol?

2016-05-14 Thread ZHANG Cheng
Dear Dr Tsjerk, Thank you very much!. For example, I have a structure of "protein.pdb". I tried but seems not work: PyMOL>open("ss.dat","w").writelines(["Residue %d: %s\n"%(a.resi,a.ss) for a in cmd.get_model("protein"+" and n. ca").atom]) Traceback (most recent call last): File "D:\Program

Re: [PyMOL] How to export secondary structure information from a PDBusing PyMol?

2016-05-14 Thread Tsjerk Wassenaar
Hi Zhang Chen, Oh, I guess that the %d should be %s then. Sorry. Cheers, Tsjerk On May 14, 2016 13:45, "ZHANG Cheng" <272699...@qq.com> wrote: > Dear Dr Tsjerk, > Thank you very much!. > > For example, I have a structure of "protein.pdb". I tried but seems not > work: > > PyMOL>open("ss.dat","w

Re: [PyMOL] How to export secondary structure information from aPDBusing PyMol?

2016-05-14 Thread ZHANG Cheng
Dear Dr Tsjerk, Thank you very much. Now it works! There are only L, S, H So, L: loop S: beta-strand H: alpha-helix Is that right? Thank you. Cheng -- Original -- From: "Tsjerk Wassenaar";; Date: Sat, May 14, 2016 07:49 PM To: "ZHANG Cheng"<272699...

Re: [PyMOL] How to export secondary structure information from aPDBusing PyMol?

2016-05-14 Thread Tsjerk Wassenaar
Hi Zhang Chen, Yes, Pymol only recognizes Helix (3-,alpha,pi), Sheet and Loop (including turns and such). Best, Tsjerk On May 14, 2016 13:55, "ZHANG Cheng" <272699...@qq.com> wrote: > Dear Dr Tsjerk, > Thank you very much. Now it works! > > There are only L, S, H > > So, > L: loop > S: beta-str

Re: [PyMOL] How to export secondary structure information fromaPDBusing PyMol?

2016-05-14 Thread ZHANG Cheng
Hi Tsjerk, Thank you very much! Yours sincerely Cheng -- Original -- From: "Tsjerk Wassenaar";; Date: Sat, May 14, 2016 08:08 PM To: "ZHANG Cheng"<272699...@qq.com>; Cc: "pymol-users"; Subject: Re: [PyMOL] How to export secondary structure information f