/* _______________________________________________________________________ * * RDPARM/PTRAJ: APR 2000 * _______________________________________________________________________ * * $Header: /thr/gamow/cvsroot/amber7/src/ptraj/torsion.h,v 1.4 2000/05/10 21:52:02 cheatham Exp $ * * Revision: $Revision: 1.4 $ * Date: $Date: 2000/05/10 21:52:02 $ * Last checked in by $Author: cheatham $ * * This source is now archived under CVS at Scripps in the amber7 tree. * * NOTE: this is a beta, pre-release version, is under constant development, * probably contains some bugs and is under constant revision; therefore * take care. Please report bugs (and fixes!) to cheatham@chpc.utah.edu or * cheatham@cgl.ucsf.edu * * Do not distribute this code without explicit permission. * Do not incorporate into other codes without explicit permission. * * Current contact information: * * Thomas Cheatham, III * 2000 East, 30 South, Skaggs Hall 201 * Department of Medicinal Chemistry * University of Utah * Salt Lake City, UT 84112-5820 * cheatham@chpc.utah.edu * (801) 587-9653 * FAX: (801) 585-5366 * * Other contributors: * * David Case (Scripps) * Michael Crowley (Scripps) * Jed Pitera (UCSF) * Vickie Tsui (Scripps) * _______________________________________________________________________ */ /* Header file for torsion.c */ #ifndef TORSION_MODULE # ifdef __STDC__ double torsion(double x1, double y1, double z1, double x2, double y2, double z2, double x3, double y3, double z3, double x4, double y4, double z4); double angle(double x1, double y1, double z1, double x2, double y2, double z2, double x3, double y3, double z3); double puckercp(double x1, double y1, double z1, double x2, double y2, double z2, double x3, double y3, double z3, double x4, double y4, double z4, double x5, double y5, double z5, double *amplitude); double puckeras(double x1, double y1, double z1, double x2, double y2, double z2, double x3, double y3, double z3, double x4, double y4, double z4, double x5, double y5, double z5, double *amplitude); # else double torsion(); double angle(); double puckercp(); double puckeras(); # endif #endif