Cezary Czaplewski [Mon, 10 May 2021 09:28:01 +0000 (11:28 +0200)]
Rafal's code for NMR restraints
Cezary Czaplewski [Thu, 3 Sep 2020 23:10:24 +0000 (01:10 +0200)]
dock adv initial multiplex 3
Cezary Czaplewski [Thu, 3 Sep 2020 22:52:29 +0000 (00:52 +0200)]
number of cluster > 9
Cezary Czaplewski [Thu, 3 Sep 2020 22:24:36 +0000 (00:24 +0200)]
number of clusters <> 5 scripts
Cezary Czaplewski [Thu, 3 Sep 2020 20:51:05 +0000 (22:51 +0200)]
number of clusters <> 5
Cezary Czaplewski [Wed, 2 Sep 2020 22:43:55 +0000 (00:43 +0200)]
preparation for number of clusters <> 5
Cezary Czaplewski [Thu, 5 Mar 2020 19:48:14 +0000 (20:48 +0100)]
UNRES-Dock restart
Cezary Czaplewski [Fri, 28 Feb 2020 11:57:06 +0000 (12:57 +0100)]
dock tutorial txt corrections
Cezary Czaplewski [Fri, 28 Feb 2020 07:24:23 +0000 (08:24 +0100)]
dock tutorial
Cezary Czaplewski [Thu, 27 Feb 2020 13:23:40 +0000 (14:23 +0100)]
dock adv seq2 no pdbref correction
Cezary Czaplewski [Thu, 27 Feb 2020 10:00:40 +0000 (11:00 +0100)]
NREP - number of temperatures
Cezary Czaplewski [Thu, 27 Feb 2020 09:49:51 +0000 (10:49 +0100)]
dock adv correction seq2
Cezary Czaplewski [Tue, 25 Feb 2020 23:16:59 +0000 (00:16 +0100)]
UNRES-Dock peptide sequence no pdb
Cezary Czaplewski [Wed, 12 Feb 2020 21:07:00 +0000 (22:07 +0100)]
dock generator binary update
Cezary Czaplewski [Wed, 12 Feb 2020 20:47:12 +0000 (21:47 +0100)]
pbs qdel not done jobs on rm
Cezary Czaplewski [Wed, 12 Feb 2020 17:45:17 +0000 (18:45 +0100)]
write postprocessing for 100%
Cezary Czaplewski [Thu, 6 Feb 2020 15:53:40 +0000 (16:53 +0100)]
dock generator_v13 exe
Cezary Czaplewski [Thu, 6 Feb 2020 15:47:42 +0000 (16:47 +0100)]
dock generator_v13 24 models
Cezary Czaplewski [Wed, 5 Feb 2020 16:49:19 +0000 (17:49 +0100)]
remd_step_rms plot ylim 0
Cezary Czaplewski [Wed, 5 Feb 2020 16:08:11 +0000 (17:08 +0100)]
dock box size
Cezary Czaplewski [Wed, 5 Feb 2020 14:13:27 +0000 (15:13 +0100)]
dock spellcheck
Cezary Czaplewski [Wed, 5 Feb 2020 14:03:39 +0000 (15:03 +0100)]
dock peptide adv
Cezary Czaplewski [Wed, 5 Feb 2020 12:59:14 +0000 (13:59 +0100)]
dock peptide
Cezary Czaplewski [Tue, 4 Feb 2020 23:07:45 +0000 (00:07 +0100)]
dock DockQ update 3
Cezary Czaplewski [Tue, 4 Feb 2020 22:44:57 +0000 (23:44 +0100)]
dock DockQ update 2
Cezary Czaplewski [Wed, 5 Feb 2020 09:40:02 +0000 (10:40 +0100)]
dock lazy users (no login)
Cezary Czaplewski [Tue, 4 Feb 2020 23:52:35 +0000 (00:52 +0100)]
dock adv error corrected
Cezary Czaplewski [Tue, 4 Feb 2020 22:38:28 +0000 (23:38 +0100)]
dock DockQ update
Cezary Czaplewski [Tue, 4 Feb 2020 21:48:36 +0000 (22:48 +0100)]
dock DockQ
Cezary Czaplewski [Tue, 4 Feb 2020 15:59:19 +0000 (16:59 +0100)]
docking working version
Cezary Czaplewski [Thu, 17 Oct 2019 12:05:30 +0000 (14:05 +0200)]
preminim cart NEWCT-9P
Cezary Czaplewski [Wed, 16 Oct 2019 14:23:48 +0000 (16:23 +0200)]
ref list format update
Cezary Czaplewski [Wed, 16 Oct 2019 14:21:16 +0000 (16:21 +0200)]
about format update
Cezary Czaplewski [Wed, 16 Oct 2019 14:13:45 +0000 (16:13 +0200)]
unres paper list update
Conflicts:
django_simple/todo/templates/about.html
Cezary Czaplewski [Wed, 16 Oct 2019 11:50:39 +0000 (13:50 +0200)]
NEWCT-9P force field
Cezary Czaplewski [Tue, 20 Aug 2019 21:02:10 +0000 (23:02 +0200)]
changelog added for zip button
Cezary Czaplewski [Tue, 20 Aug 2019 20:47:10 +0000 (22:47 +0200)]
button to download all files as zip archive
Cezary Czaplewski [Wed, 25 Jul 2018 11:56:03 +0000 (13:56 +0200)]
django_su added
Cezary Czaplewski [Wed, 25 Jul 2018 11:09:26 +0000 (13:09 +0200)]
limit for number of saved jobs
Cezary Czaplewski [Fri, 29 Jun 2018 08:53:12 +0000 (10:53 +0200)]
default ntwx=1000
Cezary Czaplewski [Mon, 16 Apr 2018 15:59:53 +0000 (17:59 +0200)]
limit for data storage explained in tutorial
Cezary Czaplewski [Wed, 11 Apr 2018 18:56:05 +0000 (20:56 +0200)]
no mdpdb for remd
Cezary Czaplewski [Mon, 16 Apr 2018 15:08:54 +0000 (17:08 +0200)]
restart conflict with preminim
Cezary Czaplewski [Thu, 12 Apr 2018 18:50:04 +0000 (20:50 +0200)]
limits for nstep<
10000000 and ntwx>100
Cezary Czaplewski [Thu, 12 Apr 2018 18:08:17 +0000 (20:08 +0200)]
mdpdb correction
Cezary Czaplewski [Thu, 12 Apr 2018 13:02:55 +0000 (15:02 +0200)]
text corrections (CA rms, input/output description)
Cezary Czaplewski [Thu, 12 Apr 2018 09:42:28 +0000 (11:42 +0200)]
lazy template and outputs correction
Cezary Czaplewski [Wed, 11 Apr 2018 20:23:35 +0000 (22:23 +0200)]
output files description and changelog
Cezary Czaplewski [Wed, 11 Apr 2018 18:00:09 +0000 (20:00 +0200)]
trajectory NGLview corrections
Cezary Czaplewski [Wed, 11 Apr 2018 12:01:52 +0000 (14:01 +0200)]
restart for lazyuser details1
Cezary Czaplewski [Tue, 10 Apr 2018 21:13:28 +0000 (23:13 +0200)]
restart for md and remd
Cezary Czaplewski [Mon, 9 Apr 2018 12:49:33 +0000 (14:49 +0200)]
docking - beta version, only basic
Cezary Czaplewski [Fri, 2 Feb 2018 10:30:20 +0000 (11:30 +0100)]
damino no display "after conversion to allatom"
Cezary Czaplewski [Thu, 1 Feb 2018 20:51:18 +0000 (21:51 +0100)]
changelog update
Cezary Czaplewski [Thu, 1 Feb 2018 20:46:25 +0000 (21:46 +0100)]
min UNRES model NGL Viewer details1 Damino
Cezary Czaplewski [Wed, 31 Jan 2018 22:22:32 +0000 (23:22 +0100)]
remd supperpose model on reference
not the opposite
Cezary Czaplewski [Wed, 31 Jan 2018 17:59:54 +0000 (18:59 +0100)]
show min running %
Cezary Czaplewski [Wed, 31 Jan 2018 08:54:36 +0000 (09:54 +0100)]
tutorial picture update
Cezary Czaplewski [Tue, 30 Jan 2018 15:43:33 +0000 (16:43 +0100)]
tutorial update, d-amino correction
Cezary Czaplewski [Tue, 30 Jan 2018 00:16:37 +0000 (01:16 +0100)]
long job names (40 char) no respa for D amino
plot_saxs larger font
Cezary Czaplewski [Mon, 29 Jan 2018 22:43:51 +0000 (23:43 +0100)]
tutorial update and other changes
preminim=50 for saxs example 2
Cezary Czaplewski [Sun, 28 Jan 2018 20:13:27 +0000 (21:13 +0100)]
adv remd 2nd SAXS example
Cezary Czaplewski [Sun, 28 Jan 2018 18:56:37 +0000 (19:56 +0100)]
random SEED value in forms
Cezary Czaplewski [Fri, 26 Jan 2018 23:45:34 +0000 (00:45 +0100)]
button download remd models pdb
Cezary Czaplewski [Fri, 26 Jan 2018 21:47:13 +0000 (22:47 +0100)]
NGL remd fog
Cezary Czaplewski [Fri, 26 Jan 2018 19:36:48 +0000 (20:36 +0100)]
NGL viewer remd no login
changelog update
Cezary Czaplewski [Fri, 26 Jan 2018 19:29:29 +0000 (20:29 +0100)]
NGL viewer remd
Cezary Czaplewski [Fri, 26 Jan 2018 09:55:02 +0000 (10:55 +0100)]
details display preminim maxfun input
Cezary Czaplewski [Fri, 26 Jan 2018 09:39:51 +0000 (10:39 +0100)]
saxs input data normalization correction for plot
Cezary Czaplewski [Thu, 25 Jan 2018 23:57:58 +0000 (00:57 +0100)]
NGL viewer min md no login
Cezary Czaplewski [Thu, 25 Jan 2018 23:39:52 +0000 (00:39 +0100)]
NGL Viewer for min and md
Cezary Czaplewski [Thu, 25 Jan 2018 20:50:47 +0000 (21:50 +0100)]
saxs input data normalization and plot for input pdb
Cezary Czaplewski [Thu, 25 Jan 2018 19:06:27 +0000 (20:06 +0100)]
remd preminim maxfun input
Cezary Czaplewski [Wed, 24 Jan 2018 09:26:46 +0000 (10:26 +0100)]
aminoacid list update and chain without CA correction
Cezary Czaplewski [Tue, 23 Jan 2018 22:49:27 +0000 (23:49 +0100)]
monospace font for sequence and seconday structure restraints
Cezary Czaplewski [Tue, 23 Jan 2018 22:23:53 +0000 (23:23 +0100)]
T0882 example in advanced MREMD, checking of residue names in pdb
Cezary Czaplewski [Tue, 23 Jan 2018 10:20:39 +0000 (11:20 +0100)]
changelog and input description update
Cezary Czaplewski [Tue, 23 Jan 2018 00:09:31 +0000 (01:09 +0100)]
input description correction
Cezary Czaplewski [Tue, 23 Jan 2018 00:08:36 +0000 (01:08 +0100)]
input description update
Cezary Czaplewski [Mon, 22 Jan 2018 23:53:13 +0000 (00:53 +0100)]
tutorial update
Cezary Czaplewski [Mon, 22 Jan 2018 23:45:47 +0000 (00:45 +0100)]
file.seq additional empty line to read exactly 80 aa
Cezary Czaplewski [Mon, 22 Jan 2018 22:31:18 +0000 (23:31 +0100)]
pdbid:chain added
Cezary Czaplewski [Mon, 22 Jan 2018 17:04:06 +0000 (18:04 +0100)]
FF2 name for E0LL2Y correction
Cezary Czaplewski [Mon, 22 Jan 2018 15:46:15 +0000 (16:46 +0100)]
FF2 name for E0LL2Y
Conflicts:
django_simple/todo/jobfiles.py
Cezary Czaplewski [Mon, 22 Jan 2018 09:58:42 +0000 (10:58 +0100)]
error md_seq_2d instead of md_2d
Cezary Czaplewski [Sun, 21 Jan 2018 19:20:07 +0000 (20:20 +0100)]
description of input and changelog updated
Cezary Czaplewski [Fri, 19 Jan 2018 10:20:34 +0000 (11:20 +0100)]
secondary structure restraints details1
Cezary Czaplewski [Fri, 19 Jan 2018 08:36:37 +0000 (09:36 +0100)]
secondary structure restraints correction
Cezary Czaplewski [Thu, 18 Jan 2018 10:18:47 +0000 (11:18 +0100)]
secondary structure restraints for md and remd
Cezary Czaplewski [Tue, 9 Jan 2018 22:27:32 +0000 (23:27 +0100)]
reading SSBOND corrected
Cezary Czaplewski [Mon, 8 Jan 2018 20:10:47 +0000 (21:10 +0100)]
details input show/hide correction
Cezary Czaplewski [Mon, 8 Jan 2018 20:03:04 +0000 (21:03 +0100)]
changelog page added
Cezary Czaplewski [Mon, 8 Jan 2018 19:35:32 +0000 (20:35 +0100)]
autorefresh index and details (login user)
Cezary Czaplewski [Mon, 8 Jan 2018 14:44:00 +0000 (15:44 +0100)]
autorefresh in js details1.html every 30sec
Cezary Czaplewski [Tue, 2 Jan 2018 13:01:35 +0000 (14:01 +0100)]
SAXS distance units input description
Cezary Czaplewski [Tue, 2 Jan 2018 12:49:34 +0000 (13:49 +0100)]
D aminoacid sequence codes from pdb
Cezary Czaplewski [Fri, 22 Dec 2017 14:44:53 +0000 (15:44 +0100)]
display boostrap grid correction
Cezary Czaplewski [Fri, 22 Dec 2017 13:50:44 +0000 (14:50 +0100)]
text correction
Cezary Czaplewski [Fri, 22 Dec 2017 13:40:47 +0000 (14:40 +0100)]
switch for respa, D aminoacids, saxs tutorial, license
Cezary Czaplewski [Fri, 22 Dec 2017 00:21:02 +0000 (01:21 +0100)]
saxs restraints
projects / django_unres.git / log