|
Last change
on this file since cfaf42 was a0bcf1, checked in by Frederik Heber <heber@…>, 18 years ago |
|
-initial commit
-Minimum set of files needed from ESPACK SVN repository
-Switch to three tantamount package parts instead of all relating to pcp (as at some time Ralf's might find inclusion as well)
|
-
Property mode
set to
100644
|
|
File size:
589 bytes
|
| Rev | Line | |
|---|
| [a0bcf1] | 1 | #ifndef pdbformat_h
|
|---|
| 2 | #define pdbformat_h
|
|---|
| 3 | /** \file pdbformat.h
|
|---|
| 4 | * Header file for \ref pdbformat.c
|
|---|
| 5 | *
|
|---|
| 6 | * Contains declarations of the functions implemented in \ref pdbformat.c
|
|---|
| 7 | *
|
|---|
| 8 | Project: ParallelCarParrinello
|
|---|
| 9 | \author Marcel Arndt
|
|---|
| 10 | 2000
|
|---|
| 11 |
|
|---|
| 12 | File: pdbformat.h
|
|---|
| 13 | $Id: pdbformat.h,v 1.7 2006/03/30 22:19:51 foo Exp $
|
|---|
| 14 | */
|
|---|
| 15 |
|
|---|
| 16 | int WritePDBLine(FILE *f, unsigned id, const char* atomname, const char* residuename,
|
|---|
| 17 | unsigned residuenr, double x, double y, double z,
|
|---|
| 18 | double occupancy, double tempfact, const char* segid,
|
|---|
| 19 | const char* elementsymbol, const char* charge);
|
|---|
| 20 |
|
|---|
| 21 |
|
|---|
| 22 | #endif
|
|---|
| 23 |
|
|---|
| 24 |
|
|---|
| 25 |
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
