47c1578c25e028d27ac253bc43f5c3b4281e2046 hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/a0213e1924d1cc58aeb7dfa7a82b8c824cff6844 a0213e1924d1cc58aeb7dfa7a82b8c824cff6844 2009-09-22T10:49:49-07:00 2009-09-22T10:49:49-07:00 restohatom modified with arguments -a for atomtype and -r for res or HAT file c03439f7502801ea01398ddfc74b1c83b1c11786 hari harijay@gmail.com 7b827919a987c83a9513ca209bc1140607aeb74a hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/47c1578c25e028d27ac253bc43f5c3b4281e2046 47c1578c25e028d27ac253bc43f5c3b4281e2046 2009-09-20T09:58:02-07:00 2009-09-20T09:58:02-07:00 Added scafile module required for hatomopdb 7bfe821843a5efb9415f485689467bfbea88c600 hari harijay@gmail.com 548a89c2f549edc82a69c6dcf2ee5ca03bfb0241 b005004d2e0907d6b6d0f52a97873740d11a5037 Hari hari@hj-ubuntu41.(none) http://github.com/harijay/xtaltools/commit/7b827919a987c83a9513ca209bc1140607aeb74a 7b827919a987c83a9513ca209bc1140607aeb74a 2009-09-20T09:31:34-07:00 2009-09-20T09:31:34-07:00 Trying to reolve conflict in mtz2phs.py c6d284f9ce62bcef3fcefbeff248e87e611de509 Hari hari@hj-ubuntu41.(none) 369a0d14710edecffd55b5707778b82690d50f26 Hari hari@hj-ubuntu41.(none) http://github.com/harijay/xtaltools/commit/548a89c2f549edc82a69c6dcf2ee5ca03bfb0241 548a89c2f549edc82a69c6dcf2ee5ca03bfb0241 2009-09-20T09:17:21-07:00 2009-09-20T09:17:21-07:00 Modified mtztophs to change column from type r to type Q and label SIG-FP 9ccb9c13b749d2229e85189e663d4f281cc4b2a8 Hari hari@hj-ubuntu41.(none) 40832c69ebe069399afb7527f0b500c38bbdf438 hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/b005004d2e0907d6b6d0f52a97873740d11a5037 b005004d2e0907d6b6d0f52a97873740d11a5037 2009-09-18T13:31:19-07:00 2009-09-18T13:31:19-07:00 Good script : hattopdb to convert shelx hatom fractional coordinates to pdb coordinates, rest are hackish old sripts : need to rewrite c5adb8c67a76d8833c8572ddf087003e3c95a3dd hari harijay@gmail.com e683fcef6a5ad7394b87382e58d4dce32a85585b hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/40832c69ebe069399afb7527f0b500c38bbdf438 40832c69ebe069399afb7527f0b500c38bbdf438 2009-09-09T07:34:50-07:00 2009-09-09T07:34:50-07:00 Added script to convert shelx result *.res files to *.hatom files required for sharp/autosharp 5fae584c7feeb9d4e349462346c77d5bd5a622f1 hari harijay@gmail.com c90448fe4f7969458c7d28e17923bd6f16713d50 hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/e683fcef6a5ad7394b87382e58d4dce32a85585b e683fcef6a5ad7394b87382e58d4dce32a85585b 2009-07-01T08:10:57-07:00 2009-07-01T08:10:57-07:00 Anomalous around a script to get you the values of f\' and f" for an atom at any given wavelength 87058c4d4b6ed12c09d323d910520f748ead6787 hari harijay@gmail.com 369a0d14710edecffd55b5707778b82690d50f26 hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/c90448fe4f7969458c7d28e17923bd6f16713d50 c90448fe4f7969458c7d28e17923bd6f16713d50 2009-07-01T08:09:22-07:00 2009-07-01T08:09:22-07:00 Mask conversion script with argparse added 48aa41e4ab6df8b2829fd9f8e3963ac053bb8410 hari harijay@gmail.com hari harijay@gmail.com http://github.com/harijay/xtaltools/commit/369a0d14710edecffd55b5707778b82690d50f26 369a0d14710edecffd55b5707778b82690d50f26 2009-03-31T15:26:43-07:00 2009-03-31T15:26:43-07:00 Initial commit e5742282f1372438e0d90c077c0ed9fd89dd5698 hari harijay@gmail.com