SDA  7.1
Simulation of Diffusional Association
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mod_record.f90 File Reference

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...
 

Detailed Description

Module for reading and writing trajectories and complexes files.

Version
{version 7.1 (2015)}

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

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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