Commits · 834a3a50f981994958b3e9dfa04fd5792229339d · open / libcifpp

26 Nov, 2018 1 commit

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@304 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 26, 2018

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21 Nov, 2018 2 commits

fix voor symmetrie · 7a423aec

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@303 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 21, 2018

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werk · 91f7f9c2

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@302 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Nov 21, 2018

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10 Sep, 2018 1 commit

aniso density calculation · af930b23

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@300 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Sep 10, 2018

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05 Sep, 2018 1 commit

grid scaling · 8047cda0

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@299 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Sep 05, 2018

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03 Sep, 2018 1 commit
- betere stats (geen interpolatie cum.prob. als n <= 100) · 773137e8
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@297 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
  maarten committed Sep 03, 2018
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24 Aug, 2018 1 commit

dict optie in stats · efd96f18

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@296 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Aug 24, 2018

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31 Jul, 2018 2 commits

accept +Inf in pdb · deeac050

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@295 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 31, 2018

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accept +Inf in pdb · 0ab408e1

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@294 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 31, 2018

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30 Jul, 2018 2 commits

reflns_shell writing · 521fafdd

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@293 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 30, 2018

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more diagnostics for Robbie · 66fa88ec

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@292 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 30, 2018

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11 Jul, 2018 1 commit
- validate compound type for residues to catch errors in (re-)numbering · 4738d979
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@291 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
  maarten committed Jul 11, 2018
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10 Jul, 2018 1 commit

pdb id output for stats · cc2f705a

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@289 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jul 10, 2018

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27 Jun, 2018 1 commit
- laatste hand aan pepflip, voor het weekeinde dan. Met coloured voor gekleurde tekst naar een tty · 3d9200f9
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@287 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
  maarten committed Jun 27, 2018
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26 Jun, 2018 1 commit

restraints/minimizer fixes · 0af4eca1

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@286 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 26, 2018

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20 Jun, 2018 2 commits

progress improvement · 26dc7eaa

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@285 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 20, 2018

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pepflip werk · 9b5ef754

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@284 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 20, 2018

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19 Jun, 2018 1 commit

pepflip werk (met ramachandran scores) · 41b2231e

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@283 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 19, 2018

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13 Jun, 2018 1 commit

pepflipwerk · 4a81e814

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@282 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 13, 2018

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12 Jun, 2018 1 commit

pepflip work · ef664312

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@281 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 12, 2018

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06 Jun, 2018 2 commits

werkende DSSP · 00742f65

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@280 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 06, 2018

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secondary structure calculation, started · 1da97e6e
```
git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@279 a1961a4f-ab94-4bcc-80e8-33b5a54de466
```
maarten committed Jun 06, 2018
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05 Jun, 2018 1 commit

backup · 38a852ca

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@277 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 05, 2018

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04 Jun, 2018 1 commit

split off statistics · a5b64ec8

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@275 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Jun 04, 2018

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30 May, 2018 2 commits

dropped newuoa · 6dc40226

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@274 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 30, 2018

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met torsions · 54b8cb5c

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@272 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 30, 2018

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29 May, 2018 3 commits

backup · 8bf1f019

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@270 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 29, 2018

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werkende refinement · 791d8bd9

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@269 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 29, 2018

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fix in point · 5b963bf6

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@268 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 29, 2018

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28 May, 2018 1 commit

betere distance berekening · 0dc65313

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@266 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 28, 2018

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23 May, 2018 2 commits

backup · 07617dcd

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@265 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 23, 2018

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edia fix, missing code from check-in · 2a2172a9

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@264 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 23, 2018

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14 May, 2018 1 commit

faster distmap · 065ba540

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@257 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 14, 2018

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07 May, 2018 2 commits

fix in compound factory · e19fc4f7

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@256 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 07, 2018

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refactored · db5540cf

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@255 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 07, 2018

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02 May, 2018 3 commits

backup · 8aaf0d88

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@254 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 02, 2018

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fixed stupid atomtype indexing bug · e53c77cb

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@253 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 02, 2018

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betere validatie · 1a8d585b

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@252 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 02, 2018

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01 May, 2018 1 commit

backup · d4de02a2

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@251 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed May 01, 2018

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30 Apr, 2018 1 commit

refactored CompoundFactory · b60face9

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@249 a1961a4f-ab94-4bcc-80e8-33b5a54de466

committed Apr 30, 2018

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