dssp (with MD trajectory analysis capabilites)

This is a modified version of the software DSSP-2.2.1 (http://swift.cmbi.ru.nl/gv/dssp/)

It can process Molecular Dynamics trajectories in the DCD format, from CHARMM, NAMD or X-PLOR (only CHARMM tested)

see README.orig.txt from the initial author, i.e. Maarten L. Hekkelman.

Code for reading DCD files comes from https://github.com/FHedin/read_dcd

COMPILE & INSTALL

A C++ compiler compatible with standard c++2011 is required.

Requires the Boost c++ library.

Use the provided makefile for compiling ; edit the make.config if the path to Boost Libraries need to be precised.

Original work from Maarten L. Hekkelman ==> Distributed under the Boost Software License, Version 1.0 ; see LICENSE.orig.txt

Code for reading DCD files, from Florent Hedin ==> Distributed under GNU General Public License version 3 or later

Name	Name	Last commit message	Last commit date
Latest commit FHedin Update README.md Jan 9, 2017 f863a58 · Jan 9, 2017 History 7 Commits
doc	doc	original import	Oct 9, 2015
src	src	reasonable results obtained ; but still need to optimise speed where …	Oct 13, 2015
LICENSE.orig.txt	LICENSE.orig.txt	A first version that can read a CHARMM DCD file and perform the secon…	Oct 9, 2015
README.md	README.md	Update README.md	Jan 9, 2017
README.orig.txt	README.orig.txt	A first version that can read a CHARMM DCD file and perform the secon…	Oct 9, 2015
changelog	changelog	original import	Oct 9, 2015
make.config	make.config	A first version that can read a CHARMM DCD file and perform the secon…	Oct 9, 2015
makefile	makefile	reasonable results obtained ; but still need to optimise speed where …	Oct 13, 2015