[gmx-users] Alternative for do_dssp for secondary structure analysis?

Justin Lemkul jalemkul at vt.edu
Thu Jan 25 16:56:48 CET 2018

On 1/25/18 10:54 AM, ZHANG Cheng wrote:
> Dear Gromacs,
> Can I ask if there is an alternative to do_dssp for secondary structure analysis?
> I am waiting for our IT staff to install the DSSP on our cluster. But there was some errors.
> https://github.com/UCL-RITS/rcps-buildscripts/issues/137

Normally, users can install anything they like in their home 
directories. Then just set the DSSP environment variable to point to the 

> While still waiting for that, can I ask if Gromacs has other tools (e.g. STRIDE) for secondary structure analysis?

It does not.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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