Quatfit algorithm

User 65315e6b18

06-09-2006 08:31:39

/**


*


* The program to superimpose atoms of two molecules by quaternion method


* @author Adrian Kalaszi (form c to java) 2005


*


* @see original c source code was downloaded at 19-10-2005 from


* http://www.ccl.net/cca/software/SOURCES/C/quaternion-mol-fit/quatfit.c


* Translated to C from fitest.f program and interfaced with Xmol program


* by Jan Labanowski, jkl _at_ ccl.net jkl _at_ ohstpy.bitnet ohstpy::jkl


*


* @Copyright:


* Copyright of the original:


* David J. Heisterberg


* The Ohio Supercomputer Center


* 1224 Kinnear Rd.


* Columbus, OH 43212-1163


* (614)292-6036


* djh _at_ ccl.net djh _at_ ohstpy.bitnet ohstpy::djh


* Ohio Supercomputer Center, David J. Heisterberg, 1990.


* The program can be copied and distributed freely, provided that


* this copyright in not removed. You may acknowledge the use of the


* program in published material as:


* David J. Heisterberg, 1990, unpublished results.


*/