Re: [gmx-users] DSSP output

2013-11-07 Thread Justin Lemkul
On 11/7/13 8:24 AM, Anirban wrote: Hi ALL, Is there any way to get the percentage of each secondary structural content of a protein using do_dssp if I supply a single PDB to it? The output of scount.xvg has the percentages, but it's also trivial to do it for one snapshot. The contents of s

Re: [gmx-users] dssp output of CG structure of 1K4C

2009-08-18 Thread sunny mishra
OK. Thanks a lot justin On Tue, Aug 18, 2009 at 1:16 PM, Justin A. Lemkul wrote: > > > sunny mishra wrote: > >> Hi Justin, >> >> Thanks for the expedient reply. So in that case I cannot get the dssp >> output of my CG structure for sure. So in that case do I have to get the >> .ssd files of my 1

Re: [gmx-users] dssp output of CG structure of 1K4C

2009-08-18 Thread Justin A. Lemkul
sunny mishra wrote: Hi Justin, Thanks for the expedient reply. So in that case I cannot get the dssp output of my CG structure for sure. So in that case do I have to get the .ssd files of my 1K4C_clean.pdb file only right and then get the .seq file of 1K4c_clean.pdb in order to proceed. Am

Re: [gmx-users] dssp output of CG structure of 1K4C

2009-08-18 Thread sunny mishra
Hi Justin, Thanks for the expedient reply. So in that case I cannot get the dssp output of my CG structure for sure. So in that case do I have to get the .ssd files of my 1K4C_clean.pdb file only right and then get the .seq file of 1K4c_clean.pdb in order to proceed. Am I right? Sunny On Tue, Aug

Re: [gmx-users] dssp output of CG structure of 1K4C

2009-08-18 Thread Justin A. Lemkul
sunny mishra wrote: Dear all, I wanted to get the dssp output of Coarse Grained structure of my protein i.e. 1K4C. In order to get that I have a script which is given to me in the MARTINI tutorial (dssp2ssd.py). I have also downloaded the dssp successfully in my linux machine. In my first s