24 Commits

Author	SHA1	Message	Date
Peter Schmidtke	f792bff126	fixing MSE and Se issues	2024-04-08 09:42:28 +00:00
pschmidtke	e571f00051	issue-105 fixing c lib issue on some architectures	2023-11-22 18:25:57 +01:00
pschmidtke	3a60a4c86e	adding mac	2021-11-16 21:41:09 +01:00
pschmidtke	5e3b4f31dc	adding new dockerfile	2021-11-04 07:47:56 +01:00
pschmidtke	f31205a0b8	correct corrupted makefile	2020-07-30 11:29:25 +02:00
Peter Schmidtke	ff35953eb5	Update makefile ... enabling proper make fpocket	2020-07-30 11:24:05 +02:00
ShorkarMael	642bc8f12b	reading mmcif with read_mmcif.c	2020-07-03 02:47:32 -07:00
Peter Schmidtke	c5309000ec	supporting setting architecture in command line	2019-05-26 23:12:13 +02:00
Peter Schmidtke	c9ed2e4768	adapted for gcc & clang compilations + OSX 64 bit	2019-05-25 14:22:17 +02:00
Peter Schmidtke	78d585cd4f	allow fpocket only or mdpocket compilation	2019-05-25 02:16:52 +02:00
Peter Schmidtke	d36eafc12e	dropping -j12 from qhull make	2018-07-24 06:03:03 +00:00
pschmidtke	0eece05649	fixing bug on makedir in db output of fpocket	2018-07-24 06:01:07 +00:00
pschmidtke	7ec07dc24d	dev-13 wrapping up final build with new qhull	2018-07-23 21:53:46 +00:00
Peter Schmidtke	232f546bfe	dev-13 adding missing userprintf_rbox.o dependency	2018-07-23 23:04:24 +02:00
Peter Schmidtke	17d171401e	devel-13 back to qobjs in makefile	2018-07-23 22:56:05 +02:00
Peter Schmidtke	9f737c4070	dev-13 make clean qhull in fpocket makefile	2018-07-23 22:52:29 +02:00
Peter Schmidtke	81a864715c	dev-13 adding back run_qvoronoi and run_qconvex	2018-07-23 22:51:22 +02:00
Peter Schmidtke	6d99b179bf	dev-13 make qhull	2018-07-23 22:38:43 +02:00
Peter Schmidtke	e68ab59034	dev-13 make qhull introduced	2018-07-23 22:37:55 +02:00
Peter Schmidtke	402b611b71	dev-13 integrating new qhull source code	2018-07-23 22:34:52 +02:00
pschmidtke	25f1bd1bb2	adapting mdpocket for new parameter structure	2017-04-06 21:52:24 +02:00
Peter	42083b4b29	corrections in pdb_open for explicit pocket detection	2017-03-31 16:26:14 +02:00
pschmidtke	580a423e14	finishing CLarg parsing for explicit pocket detection stuff	2017-03-23 22:52:34 +01:00
pschmidtke	346dadf58a	initial fpocket 3.0.4 commit	2017-03-22 23:31:13 +01:00