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Last change
on this file since 64ca279 was a0bcf1, checked in by Frederik Heber <heber@…>, 17 years ago |
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-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)
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Property mode
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100644
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File size:
589 bytes
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| 1 | #ifndef pdbformat_h
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| 2 | #define pdbformat_h
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| 3 | /** \file pdbformat.h
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| 4 | * Header file for \ref pdbformat.c
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| 5 | *
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| 6 | * Contains declarations of the functions implemented in \ref pdbformat.c
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| 7 | *
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| 8 | Project: ParallelCarParrinello
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| 9 | \author Marcel Arndt
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| 10 | 2000
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| 11 |
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| 12 | File: pdbformat.h
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| 13 | $Id: pdbformat.h,v 1.7 2006/03/30 22:19:51 foo Exp $
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| 14 | */
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| 15 |
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| 16 | int WritePDBLine(FILE *f, unsigned id, const char* atomname, const char* residuename,
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| 17 | unsigned residuenr, double x, double y, double z,
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| 18 | double occupancy, double tempfact, const char* segid,
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| 19 | const char* elementsymbol, const char* charge);
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| 20 |
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| 21 |
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| 22 | #endif
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| 23 |
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| 24 |
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