From bcaf219b7a10461a4678f294e520bc47af8348ea Mon Sep 17 00:00:00 2001 From: "drussel@SALILAB.ORG" Date: Fri, 5 Mar 2010 22:44:28 +0000 Subject: [PATCH] add steric clash metion git-svn-id: https://svn.salilab.org/imp/trunk@5369 e91f8c7b-0e32-4433-a9ac-4502d39a4eab --- doc/introduction.dox | 2 +- modules/core/include/ExcludedVolumeRestraint.h | 3 ++- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/doc/introduction.dox b/doc/introduction.dox index 692a490cbf..fbdee54709 100644 --- a/doc/introduction.dox +++ b/doc/introduction.dox @@ -74,7 +74,7 @@ Structure and dynamics modeling in \imp proceeds in a five stage iterative proce - how close a distance is to the measured value: IMP::core::DistanceRestraint - how well the model fits a density map: IMP::em::FitRestraint - how close the volume of a molecule is to the expected value: IMP::core::VolumeRestraint - - excluded volume: IMP::core::ExcludedVolumeRestraint + - excluded volume (steric clash): IMP::core::ExcludedVolumeRestraint - connectivity of a subcomplex: IMP::core::ConnectivityRestraint - the fit of the SAXS cure of a complex to a measured one: IMP::saxs::Restraint - statistical potentials: IMP::atom::ProteinLigandRestraint diff --git a/modules/core/include/ExcludedVolumeRestraint.h b/modules/core/include/ExcludedVolumeRestraint.h index 542eff2e12..ea4bf6d630 100644 --- a/modules/core/include/ExcludedVolumeRestraint.h +++ b/modules/core/include/ExcludedVolumeRestraint.h @@ -24,7 +24,8 @@ IMPCORE_BEGIN_NAMESPACE //! Prevent a set of particles and rigid bodies from inter-penetrating /** Given an arbitrary collection of particles and rigid bodies, this - restraint prevents the particles from interpenetrating. + restraint prevents the particles from interpenetrating. Such restraints + are also known as steric clash restraints. If any of the rigid bodies don't have radii, an appropriate radius will be added. Note, to take advantage of this, the RigidBody