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FitCaPDB.c File Reference

Fit two PDB linked lists. Also a weighted fit and support routines. More...

#include <math.h>
#include <stdlib.h>
#include <string.h>
#include "MathType.h"
#include "SysDefs.h"
#include "macros.h"
#include "fit.h"
#include "pdb.h"

Go to the source code of this file.

Functions

BOOL blFitCaPDB (PDB *ref_pdb, PDB *fit_pdb, REAL rm[3][3])
 

Detailed Description

Fit two PDB linked lists. Also a weighted fit and support routines.

Version
V1.6
Date
19.08.14
Author
Dr. Andrew C. R. Martin
Institute of Structural & Molecular Biology, University College London, Gower Street, London. WC1E 6BT.
andre.nosp@m.w@bi.nosp@m.oinf..nosp@m.org..nosp@m.uk andre.nosp@m.w.ma.nosp@m.rtin@.nosp@m.ucl..nosp@m.ac.uk

This code is NOT IN THE PUBLIC DOMAIN, but it may be copied according to the conditions laid out in the accompanying file COPYING.DOC.

The code may be modified as required, but any modifications must be documented so that the person responsible can be identified.

The code may not be sold commercially or included as part of a commercial product except as described in the file COPYING.DOC.

Description:

Usage:

Revision History:

Definition in file FitCaPDB.c.

Function Documentation

BOOL blFitCaPDB ( PDB ref_pdb,
PDB fit_pdb,
REAL  rm[3][3] 
)
Parameters
[in]*ref_pdbReference PDB linked list
[in,out]*fit_pdbMobile PDB linked list
[out]rmRotation matrix (May be input as NULL).
Returns
Success

Fits two PDB linked lists using only the CA atoms.

Actually fits fit_pdb onto ref_pdb and also returns the rotation matrix. This may be NULL if these data are not required.

  • 14.03.96 Original based on FitPDB() By: ACRM
  • 28.01.09 Initialize RetVal to TRUE!
  • 07.07.14 Use bl prefix for functions By: CTP
  • 19.08.14 Added AsCopy suffix to calls to blSelectAtomsPDB() By: CTP

Definition at line 117 of file FitCaPDB.c.