Bioplib
Protein Structure C Library
 All Data Structures Files Functions Variables Typedefs Macros Pages
Functions
WriteCrystPDB.c File Reference
#include <stdio.h>
#include <math.h>
#include "MathType.h"

Go to the source code of this file.

Functions

void blWriteCrystPDB (FILE *fp, VEC3F UnitCell, VEC3F CellAngles, char *spacegroup, REAL OrigMatrix[3][4], REAL ScaleMatrix[3][4])
 

Detailed Description

Version
V1.1
Date
07.07.14
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 WriteCrystPDB.c.

Function Documentation

void blWriteCrystPDB ( FILE *  fp,
VEC3F  UnitCell,
VEC3F  CellAngles,
char *  spacegroup,
REAL  OrigMatrix[3][4],
REAL  ScaleMatrix[3][4] 
)
Parameters
[in]*fpOutput file pointet
[in]UnitCellThe unit cell dimensions
[in]CellAnglesThe unit cell angles
[in]*spacegroupThe crystal's space group
[in]OrigMatrixThe origin matrix
[in]ScaleMatrixThe scale matrix

Write crystal parameters (unit cell, space group, origin and scale matrices) to a PDB file.

  • 12.10.95 Original By: ACRM
  • 17.10.95 Corrected lf to f in fprintf()s
  • 07.07.14 Use bl prefix for functions By: CTP

Definition at line 102 of file WriteCrystPDB.c.