Revision
116 -
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Modified
Thu May 14 14:04:15 2009 UTC
(11 years, 9 months ago)
by
gilbertke
File length: 111764 byte(s)
Diff to
previous 114
added number of connections and total bond order to atom definition in preparation for AM1BCC code
Revision
103 -
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Modified
Thu Feb 19 01:37:38 2009 UTC
(12 years ago)
by
gilbertke
File length: 125684 byte(s)
Diff to
previous 102
major rewrite - removing global data, adding electrostatics tag to read_sdf
Revision
102 -
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Modified
Tue Jan 20 18:02:33 2009 UTC
(12 years, 1 month ago)
by
gilbertke
File length: 122675 byte(s)
Diff to
previous 97
combine rings and srings to eliminate duplication
Revision
75 -
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Modified
Mon Dec 15 18:03:29 2008 UTC
(12 years, 2 months ago)
by
gilbertke
File length: 140533 byte(s)
Diff to
previous 68
fixes in typeing to pass MMFF validation suite
Revision
68 -
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Modified
Wed Dec 10 15:37:34 2008 UTC
(12 years, 3 months ago)
by
gilbertke
File length: 140446 byte(s)
Diff to
previous 65
fixed typing errors - mmff test suite a to c
Revision
65 -
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Modified
Fri Dec 5 02:21:07 2008 UTC
(12 years, 3 months ago)
by
gilbertke
File length: 140312 byte(s)
Diff to
previous 64
added call to type in rd_sdf, fixed problem in type_mmx
Revision
64 -
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Modified
Thu Dec 4 02:03:23 2008 UTC
(12 years, 3 months ago)
by
gilbertke
File length: 140287 byte(s)
Diff to
previous 63
fixed bug in routine to recognize delocalized bonds in kbond.c
Revision
63 -
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Modified
Wed Dec 3 03:46:32 2008 UTC
(12 years, 3 months ago)
by
gilbertke
File length: 140290 byte(s)
Diff to
previous 27
updated read_sdf type_mmx and first pass at using best practices
Revision
27 -
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Modified
Tue Jul 8 19:10:25 2008 UTC
(12 years, 8 months ago)
by
tjod
File length: 160547 byte(s)
Diff to
previous 3
move mengine src to reflect new freemol directory structure