ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/freemol/branches/sync4pymol12/src/mengine/src/read_sdf.c
Links to HEAD: (view) (annotate)
Sticky Revision:
Sort logs by:
Revision 99 - (view) (annotate) - [select for diffs]
Modified Mon Jan 19 04:31:29 2009 UTC (10 years, 8 months ago) by wdelano
File length: 18838 byte(s)
Diff to previous 96
synchronized with trunk, less openmp lib/include
Revision 96 - (view) (annotate) - [select for diffs]
Modified Sat Jan 17 23:40:13 2009 UTC (10 years, 8 months ago) by wdelano
File length: 18877 byte(s)
Diff to previous 88
using last pre-openmp source version
Revision 88 - (view) (annotate) - [select for diffs]
Modified Thu Jan 15 02:54:42 2009 UTC (10 years, 9 months ago) by wdelano
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 18877 byte(s)
Diff to previous 68
fixed spurious debug output
Revision 68 - (view) (annotate) - [select for diffs]
Modified Wed Dec 10 15:37:34 2008 UTC (10 years, 10 months ago) by gilbertke
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 18807 byte(s)
Diff to previous 67
fixed typing errors - mmff test suite a to c
Revision 67 - (view) (annotate) - [select for diffs]
Modified Fri Dec 5 14:18:02 2008 UTC (10 years, 10 months ago) by gilbertke
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 18756 byte(s)
Diff to previous 65
added aromatic bonds in read_sdf removed TJO bailout
Revision 65 - (view) (annotate) - [select for diffs]
Modified Fri Dec 5 02:21:07 2008 UTC (10 years, 10 months ago) by gilbertke
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 20857 byte(s)
Diff to previous 64
added call to type in rd_sdf, fixed problem in type_mmx
Revision 64 - (view) (annotate) - [select for diffs]
Modified Thu Dec 4 02:03:23 2008 UTC (10 years, 10 months ago) by gilbertke
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 20816 byte(s)
Diff to previous 63
fixed bug in routine to recognize delocalized bonds in kbond.c
Revision 63 - (view) (annotate) - [select for diffs]
Modified Wed Dec 3 03:46:32 2008 UTC (10 years, 10 months ago) by gilbertke
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 20793 byte(s)
Diff to previous 62
updated read_sdf type_mmx and first pass at using best practices
Revision 62 - (view) (annotate) - [select for diffs]
Modified Tue Dec 2 07:28:56 2008 UTC (10 years, 10 months ago) by wdelano
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 13322 byte(s)
Diff to previous 58
fixed typos
Revision 58 - (view) (annotate) - [select for diffs]
Modified Mon Dec 1 06:44:59 2008 UTC (10 years, 10 months ago) by wdelano
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 13323 byte(s)
Diff to previous 48
code merge 20081130
Revision 48 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 16:34:52 2008 UTC (11 years, 2 months ago) by tjod
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 17096 byte(s)
Diff to previous 31
Add modification notice to files modified for Freemol
per mengine/smi23d license requirements

Revision 31 - (view) (annotate) - [select for diffs]
Modified Fri Jul 18 18:47:27 2008 UTC (11 years, 2 months ago) by tjod
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 17021 byte(s)
Diff to previous 27
When aromatic bonds are encountered generate error on stderr and do not output sdf file.

Revision 27 - (view) (annotate) - [select for diffs]
Modified Tue Jul 8 19:10:25 2008 UTC (11 years, 3 months ago) by tjod
Original Path: trunk/src/mengine/src/read_sdf.c
File length: 16985 byte(s)
Diff to previous 15
move mengine src to reflect new freemol directory structure

Revision 15 - (view) (annotate) - [select for diffs]
Modified Thu Jun 19 00:26:16 2008 UTC (11 years, 3 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/read_sdf.c
File length: 16985 byte(s)
Diff to previous 3
Create new main program, mengine.c to replace gmmx.c
simplifying command line parsing (none).
Make mengine read stdin (sdf) and write stdout (sdf) instead
of files.  Makefile reflects change from gmmx to mengine.

Revision 3 - (view) (annotate) - [select for diffs]
Added Mon Jun 9 21:38:26 2008 UTC (11 years, 4 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/read_sdf.c
File length: 16878 byte(s)
test

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

  Diffs between and
  Type of Diff should be a