Maarten L. Hekkelman
1220f01f1e
change location of mmcif_ma.dic
2025-09-10 14:22:52 +02:00
Maarten L. Hekkelman
45ece2fa0d
pcre2 is no longer a depends on Windows
2025-09-03 11:18:04 +02:00
Maarten L. Hekkelman
fce58c02fe
no pcre2grep please, no tests either
2025-08-26 13:34:43 +02:00
Maarten L. Hekkelman
924f7c1505
finding pcre2, yet another attempt
2025-08-26 13:31:12 +02:00
Maarten L. Hekkelman
88b3c87bae
fixes for automatic update of data
2023-11-29 14:37:28 +01:00
Maarten L. Hekkelman
f2de24c851
for CI: install zlib in windows
2023-11-28 09:15:11 +01:00
Maarten L. Hekkelman
5ade3d6cdd
Fixes in update data script
2023-02-06 16:10:41 +01:00
Maarten L. Hekkelman
b09650812f
oops
2023-02-06 06:48:57 +01:00
Maarten L. Hekkelman
67b6c4bd27
update downloaded files only when needed and clean up afterwards
2023-02-05 11:27:54 +01:00
Maarten L. Hekkelman
e004e1591e
fix cron script
2023-02-02 09:35:44 +01:00
Maarten L. Hekkelman
0a06a0a51d
Fix cron script
2023-01-02 14:06:09 +01:00
Maarten L. Hekkelman
9b2ae6d7fd
Fix update script, order is important
2022-11-28 08:48:13 +01:00
Maarten L. Hekkelman
92a836ecdc
More location fixes
2022-11-13 11:43:35 +01:00
Maarten L. Hekkelman
c88a46f155
Fix installation issues, version bump
2022-11-13 11:16:51 +01:00
Maarten L. Hekkelman
35196789e0
updated makefile, use system regex if good enough
2022-11-09 10:33:44 +01:00
Maarten L. Hekkelman
560f6debc6
updating dictionaries and default to downloading components.cif
2022-10-26 15:46:50 +02:00
Maarten L. Hekkelman
9485bec2fa
Moved symmetry back into libcifpp
2022-09-27 16:09:24 +02:00
Maarten L. Hekkelman
681aa3bf8b
clean up
2022-08-17 11:24:29 +02:00
Maarten L. Hekkelman
a9e9f86c93
Renaming internal use of mmcif_pdbx dictionary. It was wrong to use the name mmcif_pdbx_v50
2022-08-16 16:17:30 +02:00
Maarten L. Hekkelman
ac27248784
Started moving DSSP code
2022-08-15 15:37:07 +02:00
Maarten L. Hekkelman
9fe6e5df85
remove dependency on boost::program_options
2022-08-14 20:08:36 +02:00
Maarten L. Hekkelman
6175b7e359
backup
2022-08-01 16:58:52 +02:00
Maarten L. Hekkelman
8d96e513bd
rename update script
2021-10-13 09:55:02 +02:00
Maarten L. Hekkelman
c767e89a5d
Fixed symmetry operator table generator
2021-10-06 12:57:18 +02:00
Maarten L. Hekkelman
46fe0d7caf
fixed cmake file
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reduced verbosity for missing atoms
update script, more cross platform
2021-09-21 08:52:48 +02:00
Andrius Merkys
8c3ce2a87d
Update OpenStructure compounds.chemlib if OpenStructure is found ( #8 )
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* Update OpenStructure compounds.chemlib if OpenStructure is found.
* Replacing the code to update OpenStructure compounds.chemlib with a call to its internal script.
* Implementing more flexible approach allowing notifying all dependent software.
2021-09-20 12:39:15 +02:00
Maarten L. Hekkelman
072be25335
install update script
2021-09-01 16:53:05 +02:00
Maarten L. Hekkelman
a29e3e8da3
create symop table
2021-08-30 12:06:36 +02:00
Maarten L. Hekkelman
1ae3cf7b99
moving towards using CCD, parsing single datablock
2021-04-14 10:59:58 +02:00
Maarten L. Hekkelman
cf465134fd
fixing linux again
2021-03-10 16:46:10 +01:00
Maarten L. Hekkelman
873ac70d18
Build with MSVC
2021-03-10 14:10:25 +01:00
Maarten L. Hekkelman
8f02665e6d
symop table generator, now requires output argument
2021-02-22 17:13:50 +01:00
Maarten L. Hekkelman
8f997658d7
update configure to configure data directories
2021-02-17 11:28:50 +01:00
Maarten L. Hekkelman
46925331c7
Merge branch 'trunk' of github.com:PDB-REDO/libcifpp into trunk
2021-01-06 13:04:06 +01:00
Maarten L. Hekkelman
84123df996
changes from Debian included
2021-01-06 13:03:52 +01:00
drlemmus
641b446195
Update update-dictionary-script
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Updated URL for the mmcif dictionary download to HTTPS.
2021-01-06 08:53:54 +01:00
Maarten L. Hekkelman
34bbf06793
update config.hpp.in, fix update script to write correct filename
2020-12-17 08:49:39 +01:00
Maarten L. Hekkelman
43287736bb
Revert renaming update script
2020-12-15 16:46:09 +01:00
Maarten L. Hekkelman
a548b39677
revision writing
2020-11-18 16:51:16 +01:00
Maarten L. Hekkelman
af64151c60
rename libcif++ to libcifpp
2020-11-17 11:27:40 +01:00
Maarten L. Hekkelman
da94d65c6b
prepare for 1.0.0 release
2020-11-17 10:33:25 +01:00
Maarten L. Hekkelman
b65aa46daa
better symop table
2020-10-21 08:38:14 +02:00
Maarten L. Hekkelman
faef95a84d
new layout of symop table to work around compiler alignment issues
2020-10-19 16:29:41 +02:00
Maarten L. Hekkelman
85b08f9d77
Added license
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clean up of code
2020-09-22 09:35:56 +02:00
Maarten L. Hekkelman
a3cf3343c9
configure script
2020-06-15 16:01:48 +02:00
maarten
d053492a7c
No longer crashing on rowset/find
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git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@523 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2020-03-10 10:31:05 +00:00
maarten
77e0b3f776
symmetrie
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git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@498 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-12-04 13:58:23 +00:00
maarten
51aebf844a
nieuwe symmetrie code
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git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@495 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-19 15:22:44 +00:00
maarten
38121e20f5
backup
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git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@494 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-13 13:58:45 +00:00
maarten
dbd826867f
backup
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git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@493 a1961a4f-ab94-4bcc-80e8-33b5a54de466
2019-11-12 20:17:26 +00:00
