Revision 3058 - Directory Listing - [select for diffs]
Modified Thu Oct 19 20:50:50 2006 UTC (17 years, 10 months ago) by gezelter
Diff to previous 3057

Updating OpenBabel to version 2.0.2.  These files aren't used anymore

updated OpenBabel to version 2.0.2

Revision 3056 - Directory Listing - [select for diffs]
Modified Thu Oct 19 19:51:34 2006 UTC (17 years, 10 months ago) by gezelter
Diff to previous 2984

Slight changes to oopseformat to allow importing of openbabel's
perceived atom types into OOPSE md files

Changing utility programs to use the new file format

Revision 2982 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years ago) by tim
Diff to previous 2970

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

starting change of file formats

Revision 2518 - Directory Listing - [select for diffs]
Modified Fri Dec 16 21:52:50 2005 UTC (18 years, 9 months ago) by tim
Diff to previous 2508

changed __FUNCTION__ to __func__ to match C99 standard, and then added
an autoconf test to check for __func__ usability.  Changed some default
compile flags for the Sun architecture

made some minor changes to allow compilation with the portland group
compilers

Revision 2486 - Directory Listing - [select for diffs]
Modified Mon Dec 5 21:45:27 2005 UTC (18 years, 9 months ago) by chuckv
Diff to previous 2477

Fixed build bug in openbabel.

Errors are no longer thrown with consts (fixes compilation bug on the Mac).

Revision 2469 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (18 years, 9 months ago) by tim
Diff to previous 2466

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

Changed file names that conflict w/ oopse file name object files.

Revision 2458 - Directory Listing - [select for diffs]
Modified Fri Nov 18 20:17:38 2005 UTC (18 years, 9 months ago) by tim
Diff to previous 2455

adding support for soft linking

rename mdinConverter to atom2mdin

Revision 2454 - Directory Listing - [select for diffs]
Modified Thu Nov 17 20:44:41 2005 UTC (18 years, 10 months ago) by gezelter
Diff to previous 2450

fixed a bug

Unifying config.h stuff and making sure the OpenBabel codes can find
our default (and environment variable) Force Field directories.

Revision 2445 - Directory Listing - [select for diffs]
Modified Wed Nov 16 21:22:51 2005 UTC (18 years, 10 months ago) by tim
Diff to previous 2440

adding more readers/writers

adding openbabel