Commits · 77e0b3f77684fdda31a27b325c8a264cc7bae94c · open / libcifpp

04 Dec, 2019 1 commit

symmetrie · 77e0b3f7

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@498 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Dec 04, 2019

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25 Nov, 2019 1 commit

fix writing atom id in pdb files · a7249eb2

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@497 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 25, 2019

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19 Nov, 2019 1 commit

nieuwe symmetrie code · 51aebf84

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@495 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 19, 2019

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13 Nov, 2019 1 commit

backup · 38121e20

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@494 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 13, 2019

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12 Nov, 2019 1 commit

backup · dbd82686

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@493 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 12, 2019

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11 Nov, 2019 2 commits

backup · fe519e71

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@492 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 11, 2019

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fixed memory leak · 072882e0

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@491 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 11, 2019

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06 Nov, 2019 1 commit
- fixed hanging bug (infinite loop caused by invalid cell) · 3ab625cb
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@490 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
  maarten committed Nov 06, 2019
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04 Nov, 2019 2 commits

platonyzer werk · 2583975a

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@489 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 04, 2019

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backup · 9ec0eae4

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@488 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 04, 2019

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31 Oct, 2019 2 commits

fix for negative numerator · f2449abb

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@487 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Oct 31, 2019

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symopnr · 4a5312a6

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@485 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Oct 31, 2019

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30 Oct, 2019 3 commits

new Symmetry · 9c636544

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@484 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Oct 30, 2019

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platonyzer work, adding a symop table generator · 19714ecb
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@483 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
maarten committed Oct 30, 2019
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rt werk · 9fbd41ae

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@482 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Oct 30, 2019

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29 Oct, 2019 1 commit

backup platonyzer · c432ac4d

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@481 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Oct 29, 2019

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28 Oct, 2019 1 commit

start platonyzer · 26730242

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@479 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Oct 28, 2019

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14 Oct, 2019 1 commit
- aanpassen van gelinkte data bij swapAtoms · db164a20
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@478 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
  maarten committed Oct 14, 2019
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17 Sep, 2019 2 commits

met zonder resources, optioneel · 9b1e9356

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@475 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Sep 17, 2019

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address/port · f1dfe12c

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@472 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Sep 17, 2019

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09 Sep, 2019 1 commit

stukje apple code weggehaald · 0bdda461

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@469 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Sep 09, 2019

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02 Sep, 2019 1 commit

met selectie outliers/etc · 530d1110

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@460 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Sep 02, 2019

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26 Aug, 2019 1 commit

more fields added · d170c8da

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@454 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Aug 26, 2019

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21 Aug, 2019 1 commit
- don't crash on invalid sym operators, just drop them · fe6d7a11
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@453 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
  maarten committed Aug 21, 2019
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29 Jul, 2019 2 commits

mmCQL klaar, voor nu · 6082b119

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@452 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 29, 2019

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a first select · 01dbe675

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@451 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 29, 2019

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24 Jul, 2019 2 commits

fix remark 3 parser · a825cfc6

cif-grep output zero when counted none

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@445 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 24, 2019

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Fix in remark 3 parsing · 9f81a4ef

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@444 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 24, 2019

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23 Jul, 2019 1 commit

orphan handling, UNL in prepper · c9f37c74

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@443 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 23, 2019

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22 Jul, 2019 3 commits

bouwen zonder versie · ffd82dfe

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@441 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 22, 2019

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readme aangepast · 6ef927cf

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@439 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 22, 2019

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fix pdb out (charge) · 13a38fd0

added options to cif-grep

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@437 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 22, 2019

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17 Jul, 2019 1 commit

fix in sorting atoms in prepper · f9099050

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@436 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 17, 2019

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10 Jul, 2019 1 commit

phenix · 55b1c566

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@434 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 10, 2019

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09 Jul, 2019 4 commits

readme aangepast · 1c009d48

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@432 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 09, 2019

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fix for buster-tnt parser · 42c72958

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@431 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 09, 2019

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betere makefiles · 13109f76

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@430 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 09, 2019

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herverkaveling · 72e67080

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@428 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 09, 2019

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08 Jul, 2019 1 commit

reorganizing · aaf25de2

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@426 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 08, 2019

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03 Jul, 2019 1 commit

berekeningen gaan nu goed · 0cbb927b

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@420 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 03, 2019

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