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dockonsurf @ 75d6a31b

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  examples
  modules
  tests
.gitignore 40 octet
README.md 0 octet
__init__.py 0 octet
dockonsurf.py 768 octet
requirements.txt 130 octet
setup.py 783 octet

Dernières révisions

# Date Auteur Commentaire
75d6a31b 04/08/2020 11:41 Carles Marti

Corrected bug on type_max when no value was given
ec5bba46 04/08/2020 11:40 Carles Marti

Implementes support for irene custom batch queuing system.
70fa4e74 03/08/2020 14:27 Carles Marti

Reformatting file.
09c3325a 31/07/2020 16:43 Carles Marti

A maximum number of jobs can be set to, not only the pending ones, but now also the running ones.
4670488d 31/07/2020 15:30 Carles Marti

Changed min_confs option name to pre_opt which accept a turn_false_answer, uff and mmff.
b14e64e3 31/07/2020 11:50 Carles Marti

First version of setup.py
0bca5abb 31/07/2020 11:50 Carles Marti

Updated error message.
9301393d 31/07/2020 11:49 Carles Marti

Updated dockonsurf.inp
e00ab216 31/07/2020 11:46 Carles Marti

Added # TODO for the formatation of the log file.
8fbad764 31/07/2020 11:45 Carles Marti

Added # TODO for the implementation of debug run.

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