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UNRES-Dock peptide sequence no pdb
[django_unres.git]
/
django_simple
/
todo
/
jobfiles.py
2020-02-25
Cezary Czaplewski
UNRES-Dock peptide sequence no pdb
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commitdiff
2020-02-12
Cezary Czaplewski
pbs qdel not done jobs on rm
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diff to current
2020-02-06
Cezary Czaplewski
dock generator_v13 24 models
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2020-02-05
Cezary Czaplewski
dock peptide
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2020-02-04
Cezary Czaplewski
docking working version
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2019-10-18
Cezary Czaplewski
preminim cart NEWCT-9P
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2019-10-16
Cezary Czaplewski
NEWCT-9P force field
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2018-04-16
Cezary Czaplewski
no mdpdb for remd
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2018-04-16
Cezary Czaplewski
restart conflict with preminim
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2018-04-10
Cezary Czaplewski
restart for md and remd
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2018-04-09
Cezary Czaplewski
docking - beta version, only basic
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2018-01-30
Cezary Czaplewski
tutorial update, d-amino correction
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2018-01-26
Cezary Czaplewski
saxs input data normalization correction for plot
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2018-01-25
Cezary Czaplewski
saxs input data normalization and plot for input pdb
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2018-01-25
Cezary Czaplewski
remd preminim maxfun input
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2018-01-22
Cezary Czaplewski
file.seq additional empty line to read exactly 80 aa
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2018-01-22
Cezary Czaplewski
FF2 name for E0LL2Y
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2018-01-22
Cezary Czaplewski
error md_seq_2d instead of md_2d
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2018-01-19
Cezary Czaplewski
secondary structure restraints correction
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2018-01-18
Cezary Czaplewski
secondary structure restraints for md and remd
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2017-12-22
Cezary Czaplewski
switch for respa, D aminoacids, saxs tutorial, license
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2017-12-22
Cezary Czaplewski
saxs restraints
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2017-11-10
Cezary Czaplewski
BOX dimensions input in advanced mode
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2017-10-09
Cezary Czaplewski
wham and cluster BOXX=1000.
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2017-10-05
Cezary Czaplewski
correct t_bath in histogram
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2017-09-17
Cezary Czaplewski
multichain refine ssbond
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2017-09-16
Cezary Czaplewski
refine with ssbond
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2017-09-13
Cezary Czaplewski
ssbond and file open error exception
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2017-09-12
Cezary Czaplewski
problems with json ssbond
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2017-08-27
Cezary Czaplewski
ntwx for remd (trajcache)
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2017-08-26
Cezary Czaplewski
new force field option
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2017-08-26
Cezary Czaplewski
etoh cherry merge correction
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2017-08-26
Cezary Czaplewski
remd plot all ex with multiplexing
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2017-08-22
Cezary Czaplewski
changes of os.chdir(instance.jobdirname) os.chdir(...
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2017-08-21
Cezary Czaplewski
initial git commit
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