[gmx-users] Secondary structure analysis

Justin Lemkul jalemkul at vt.edu
Mon Mar 27 18:54:19 CEST 2017



On 3/27/17 6:48 AM, RAHUL SURESH wrote:
> i found a lot libraries missing in dssp.
>
> can i obtain them using
> *rsync -avz rsync://rsync.cmbi.ru.nl/dssp/ <http://rsync.cmbi.ru.nl/dssp/>
> /home/oem/Downloads/dssp*
>

The dssp binary is all you should need.  It's pre-compiled (though you can get 
the source) for various architectures.

-Justin

> On Sun, Mar 26, 2017 at 9:44 PM, Souparno Adhikary <souparnoa91 at gmail.com>
> wrote:
>
>> I think dssp is a useful tool for this purpose...
>>
>> Souparno
>>
>> On 26 Mar 2017 19:50, "Justin Lemkul" <jalemkul at vt.edu> wrote:
>>
>>>
>>>
>>> On 3/26/17 8:21 AM, RAHUL SURESH wrote:
>>>
>>>> I use gromacs 2016.1 version. How to do secondary structure analysis ?
>>>>
>>>>
>>> http://manual.gromacs.org/documentation/2016.1/user-guide/
>>> cmdline.html#protein-specific-analysis
>>>
>>> -Justin
>>>
>>> --
>>> ==================================================
>>>
>>> Justin A. Lemkul, Ph.D.
>>> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>>>
>>> Department of Pharmaceutical Sciences
>>> School of Pharmacy
>>> Health Sciences Facility II, Room 629
>>> University of Maryland, Baltimore
>>> 20 Penn St.
>>> Baltimore, MD 21201
>>>
>>> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
>>> http://mackerell.umaryland.edu/~jalemkul
>>>
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================


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