Module for reading and writing trajectories and complexes files. More...
Data Types | |
module | mod_record |
MODULE mod_record Define type record and subtypes Trajectory and ListComplexe. More... | |
type | mod_record::nodecomplexe |
Define one Node for the ListComplexe . More... | |
type | mod_record::listcomplexe |
Complexes implemented as a list, fast insertion and deletion To define a list, we use type NodeComplexe which contains one object Can extend the description here. More... | |
type | mod_record::trajectory |
Implemented as an array, fixed size and append data only at the end. More... | |
type | mod_record::record |
Main "base" class All derived can be created from this one. More... | |
Module for reading and writing trajectories and complexes files.
Copyright (c) 2009, 2010, 2015 Heidelberg Institute of Theoretical Studies (HITS, www.h-its.org) formerly EML Research gGmbH (EML-R ) Schloss-Wolfsbrunnenweg 35 69118 Heidelberg, Germany
Copyright (c) 2000, 2003 European Molecular Biology Laboratory Meyerhofstr. 1, Postfach 10.2209 D-69012, Heidelberg, Germany
Please send your contact address to get information on updates and new features to "mcmsoft@h-its.org". Questions will be answered as soon as possible.
References (see also http://mcm.h-its.org/sda7/doc/doc_sda7/references.html):
Brownian dynamics simulation of protein-protein diffusional encounter.
(1998) Methods, 14, 329-341.
Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, R.R.Gabdoulline, M. Ozboyaci, S.Richter and R.C.Wade
most general type is record, subtypes are complex and trajectory