Revision 62 - (view) (annotate) - [select for diffs]
Modified Tue Dec 2 07:28:56 2008 UTC (13 years, 5 months ago) by wdelano
File length: 13322 byte(s)
Diff to previous 58 , to selected 3

fixed typos

Revision 58 - (view) (annotate) - [select for diffs]
Modified Mon Dec 1 06:44:59 2008 UTC (13 years, 5 months ago) by wdelano
File length: 13323 byte(s)
Diff to previous 48 , to selected 3

code merge 20081130

Revision 48 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 16:34:52 2008 UTC (13 years, 9 months ago) by tjod
File length: 17096 byte(s)
Diff to previous 31 , to selected 3

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 (13 years, 10 months ago) by tjod
File length: 17021 byte(s)
Diff to previous 27 , to selected 3

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 (13 years, 10 months ago) by tjod
File length: 16985 byte(s)
Diff to previous 15 , to selected 3

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 (13 years, 11 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) - [selected]
Added Mon Jun 9 21:38:26 2008 UTC (13 years, 11 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/read_sdf.c
File length: 16878 byte(s)

test