django_unres.git
4 years agoabout format update
Cezary Czaplewski [Wed, 16 Oct 2019 14:21:16 +0000 (16:21 +0200)]
about format update

4 years agounres paper list 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

4 years agoNEWCT-9P force field
Cezary Czaplewski [Wed, 16 Oct 2019 11:50:39 +0000 (13:50 +0200)]
NEWCT-9P force field

4 years agochangelog added for zip button
Cezary Czaplewski [Tue, 20 Aug 2019 21:02:10 +0000 (23:02 +0200)]
changelog added for zip button

4 years agobutton to download all files as zip archive
Cezary Czaplewski [Tue, 20 Aug 2019 20:47:10 +0000 (22:47 +0200)]
button to download all files as zip archive

5 years agodjango_su added
Cezary Czaplewski [Wed, 25 Jul 2018 11:56:03 +0000 (13:56 +0200)]
django_su added

5 years agolimit for number of saved jobs
Cezary Czaplewski [Wed, 25 Jul 2018 11:09:26 +0000 (13:09 +0200)]
limit for number of saved jobs

5 years agodefault ntwx=1000
Cezary Czaplewski [Fri, 29 Jun 2018 08:53:12 +0000 (10:53 +0200)]
default ntwx=1000

6 years agolimit for data storage explained in tutorial
Cezary Czaplewski [Mon, 16 Apr 2018 15:59:53 +0000 (17:59 +0200)]
limit for data storage explained in tutorial

6 years agono mdpdb for remd
Cezary Czaplewski [Wed, 11 Apr 2018 18:56:05 +0000 (20:56 +0200)]
no mdpdb for remd

6 years agorestart conflict with preminim
Cezary Czaplewski [Mon, 16 Apr 2018 15:08:54 +0000 (17:08 +0200)]
restart conflict with preminim

6 years agolimits for nstep<10000000 and ntwx>100
Cezary Czaplewski [Thu, 12 Apr 2018 18:50:04 +0000 (20:50 +0200)]
limits for nstep<10000000 and ntwx>100

6 years agomdpdb correction
Cezary Czaplewski [Thu, 12 Apr 2018 18:08:17 +0000 (20:08 +0200)]
mdpdb correction

6 years agotext corrections (CA rms, input/output description)
Cezary Czaplewski [Thu, 12 Apr 2018 13:02:55 +0000 (15:02 +0200)]
text corrections (CA rms, input/output description)

6 years agolazy template and outputs correction
Cezary Czaplewski [Thu, 12 Apr 2018 09:42:28 +0000 (11:42 +0200)]
lazy template and outputs correction

6 years agooutput files description and changelog
Cezary Czaplewski [Wed, 11 Apr 2018 20:23:35 +0000 (22:23 +0200)]
output files description and changelog

6 years agotrajectory NGLview corrections
Cezary Czaplewski [Wed, 11 Apr 2018 18:00:09 +0000 (20:00 +0200)]
trajectory NGLview corrections

6 years agorestart for lazyuser details1
Cezary Czaplewski [Wed, 11 Apr 2018 12:01:52 +0000 (14:01 +0200)]
restart for lazyuser details1

6 years agorestart for md and remd
Cezary Czaplewski [Tue, 10 Apr 2018 21:13:28 +0000 (23:13 +0200)]
restart for md and remd

6 years agodocking - beta version, only basic
Cezary Czaplewski [Mon, 9 Apr 2018 12:49:33 +0000 (14:49 +0200)]
docking - beta version, only basic

6 years agodamino no display "after conversion to allatom"
Cezary Czaplewski [Fri, 2 Feb 2018 10:30:20 +0000 (11:30 +0100)]
damino no display "after conversion to allatom"

6 years agochangelog update
Cezary Czaplewski [Thu, 1 Feb 2018 20:51:18 +0000 (21:51 +0100)]
changelog update

6 years agomin UNRES model NGL Viewer details1 Damino
Cezary Czaplewski [Thu, 1 Feb 2018 20:46:25 +0000 (21:46 +0100)]
min UNRES model NGL Viewer details1 Damino

6 years agoremd supperpose model on reference
Cezary Czaplewski [Wed, 31 Jan 2018 22:22:32 +0000 (23:22 +0100)]
remd supperpose model on reference

not the opposite

6 years agoshow min running %
Cezary Czaplewski [Wed, 31 Jan 2018 17:59:54 +0000 (18:59 +0100)]
show min running %

6 years agotutorial picture update
Cezary Czaplewski [Wed, 31 Jan 2018 08:54:36 +0000 (09:54 +0100)]
tutorial picture update

6 years agotutorial update, d-amino correction
Cezary Czaplewski [Tue, 30 Jan 2018 15:43:33 +0000 (16:43 +0100)]
tutorial update, d-amino correction

6 years agolong job names (40 char) no respa for D amino
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

6 years agotutorial update and other changes
Cezary Czaplewski [Mon, 29 Jan 2018 22:43:51 +0000 (23:43 +0100)]
tutorial update and other changes

preminim=50 for saxs example 2

6 years agoadv remd 2nd SAXS example
Cezary Czaplewski [Sun, 28 Jan 2018 20:13:27 +0000 (21:13 +0100)]
adv remd 2nd SAXS example

6 years agorandom SEED value in forms
Cezary Czaplewski [Sun, 28 Jan 2018 18:56:37 +0000 (19:56 +0100)]
random SEED value in forms

6 years agobutton download remd models pdb
Cezary Czaplewski [Fri, 26 Jan 2018 23:45:34 +0000 (00:45 +0100)]
button download remd models pdb

6 years agoNGL remd fog
Cezary Czaplewski [Fri, 26 Jan 2018 21:47:13 +0000 (22:47 +0100)]
NGL remd fog

6 years agoNGL viewer remd no login
Cezary Czaplewski [Fri, 26 Jan 2018 19:36:48 +0000 (20:36 +0100)]
NGL viewer remd no login

changelog update

6 years agoNGL viewer remd
Cezary Czaplewski [Fri, 26 Jan 2018 19:29:29 +0000 (20:29 +0100)]
NGL viewer remd

6 years agodetails display preminim maxfun input
Cezary Czaplewski [Fri, 26 Jan 2018 09:55:02 +0000 (10:55 +0100)]
details display preminim maxfun input

6 years agosaxs input data normalization correction for plot
Cezary Czaplewski [Fri, 26 Jan 2018 09:39:51 +0000 (10:39 +0100)]
saxs input data normalization correction for plot

6 years agoNGL viewer min md no login
Cezary Czaplewski [Thu, 25 Jan 2018 23:57:58 +0000 (00:57 +0100)]
NGL viewer min md no login

6 years agoNGL Viewer for min and md
Cezary Czaplewski [Thu, 25 Jan 2018 23:39:52 +0000 (00:39 +0100)]
NGL Viewer for min and md

6 years agosaxs input data normalization and plot for input pdb
Cezary Czaplewski [Thu, 25 Jan 2018 20:50:47 +0000 (21:50 +0100)]
saxs input data normalization and plot for input pdb

6 years agoremd preminim maxfun input
Cezary Czaplewski [Thu, 25 Jan 2018 19:06:27 +0000 (20:06 +0100)]
remd preminim maxfun input

6 years agoaminoacid list update and chain without CA correction
Cezary Czaplewski [Wed, 24 Jan 2018 09:26:46 +0000 (10:26 +0100)]
aminoacid list update and chain without CA correction

6 years agomonospace font for sequence and seconday structure restraints
Cezary Czaplewski [Tue, 23 Jan 2018 22:49:27 +0000 (23:49 +0100)]
monospace font for sequence and seconday structure restraints

6 years agoT0882 example in advanced MREMD, checking of residue names in pdb
Cezary Czaplewski [Tue, 23 Jan 2018 22:23:53 +0000 (23:23 +0100)]
T0882 example in advanced MREMD, checking of residue names in pdb

6 years agochangelog and input description update
Cezary Czaplewski [Tue, 23 Jan 2018 10:20:39 +0000 (11:20 +0100)]
changelog and input description update

6 years agoinput description correction
Cezary Czaplewski [Tue, 23 Jan 2018 00:09:31 +0000 (01:09 +0100)]
input description correction

6 years agoinput description update
Cezary Czaplewski [Tue, 23 Jan 2018 00:08:36 +0000 (01:08 +0100)]
input description update

6 years agotutorial update
Cezary Czaplewski [Mon, 22 Jan 2018 23:53:13 +0000 (00:53 +0100)]
tutorial update

6 years agofile.seq additional empty line to read exactly 80 aa
Cezary Czaplewski [Mon, 22 Jan 2018 23:45:47 +0000 (00:45 +0100)]
file.seq additional empty line to read exactly 80 aa

6 years agopdbid:chain added
Cezary Czaplewski [Mon, 22 Jan 2018 22:31:18 +0000 (23:31 +0100)]
pdbid:chain added

6 years agoFF2 name for E0LL2Y correction
Cezary Czaplewski [Mon, 22 Jan 2018 17:04:06 +0000 (18:04 +0100)]
FF2 name for E0LL2Y correction

6 years agoFF2 name for E0LL2Y
Cezary Czaplewski [Mon, 22 Jan 2018 15:46:15 +0000 (16:46 +0100)]
FF2 name for E0LL2Y

Conflicts:

django_simple/todo/jobfiles.py

6 years agoerror md_seq_2d instead of md_2d
Cezary Czaplewski [Mon, 22 Jan 2018 09:58:42 +0000 (10:58 +0100)]
error md_seq_2d instead of md_2d

6 years agodescription of input and changelog updated
Cezary Czaplewski [Sun, 21 Jan 2018 19:20:07 +0000 (20:20 +0100)]
description of input and changelog updated

6 years agosecondary structure restraints details1
Cezary Czaplewski [Fri, 19 Jan 2018 10:20:34 +0000 (11:20 +0100)]
secondary structure restraints details1

6 years agosecondary structure restraints correction
Cezary Czaplewski [Fri, 19 Jan 2018 08:36:37 +0000 (09:36 +0100)]
secondary structure restraints correction

6 years agosecondary structure restraints for md and remd
Cezary Czaplewski [Thu, 18 Jan 2018 10:18:47 +0000 (11:18 +0100)]
secondary structure restraints for md and remd

6 years agoreading SSBOND corrected
Cezary Czaplewski [Tue, 9 Jan 2018 22:27:32 +0000 (23:27 +0100)]
reading SSBOND corrected

6 years agodetails input show/hide correction
Cezary Czaplewski [Mon, 8 Jan 2018 20:10:47 +0000 (21:10 +0100)]
details input show/hide correction

6 years agochangelog page added
Cezary Czaplewski [Mon, 8 Jan 2018 20:03:04 +0000 (21:03 +0100)]
changelog page added

6 years agoautorefresh index and details (login user)
Cezary Czaplewski [Mon, 8 Jan 2018 19:35:32 +0000 (20:35 +0100)]
autorefresh index and details (login user)

6 years agoautorefresh in js details1.html every 30sec
Cezary Czaplewski [Mon, 8 Jan 2018 14:44:00 +0000 (15:44 +0100)]
autorefresh in js details1.html every 30sec

6 years agoSAXS distance units input description
Cezary Czaplewski [Tue, 2 Jan 2018 13:01:35 +0000 (14:01 +0100)]
SAXS distance units input description

6 years agoD aminoacid sequence codes from pdb
Cezary Czaplewski [Tue, 2 Jan 2018 12:49:34 +0000 (13:49 +0100)]
D aminoacid sequence codes from pdb

6 years agodisplay boostrap grid correction
Cezary Czaplewski [Fri, 22 Dec 2017 14:44:53 +0000 (15:44 +0100)]
display boostrap grid correction

6 years agotext correction
Cezary Czaplewski [Fri, 22 Dec 2017 13:50:44 +0000 (14:50 +0100)]
text correction

6 years agoswitch for respa, D aminoacids, saxs tutorial, license
Cezary Czaplewski [Fri, 22 Dec 2017 13:40:47 +0000 (14:40 +0100)]
switch for respa, D aminoacids, saxs tutorial, license

6 years agosaxs restraints
Cezary Czaplewski [Fri, 22 Dec 2017 00:21:02 +0000 (01:21 +0100)]
saxs restraints

6 years agofluct_plot for multimodel pdb reads the first model
Cezary Czaplewski [Thu, 14 Dec 2017 22:48:12 +0000 (23:48 +0100)]
fluct_plot for multimodel pdb reads the first model

todo

6 years agoinput description added
Cezary Czaplewski [Wed, 13 Dec 2017 21:34:36 +0000 (22:34 +0100)]
input description added

6 years agofluct putty correct for multichain
Cezary Czaplewski [Wed, 13 Dec 2017 08:36:52 +0000 (09:36 +0100)]
fluct putty correct for multichain

6 years agofluct_plot multichain correction
Cezary Czaplewski [Wed, 13 Dec 2017 01:14:07 +0000 (02:14 +0100)]
fluct_plot multichain correction

and error message for missing residues

6 years agomissing residues error for pdb file or id
Cezary Czaplewski [Tue, 12 Dec 2017 00:56:30 +0000 (01:56 +0100)]
missing residues error for pdb file or id

6 years agotutorial update pictures
Cezary Czaplewski [Fri, 8 Dec 2017 02:22:43 +0000 (03:22 +0100)]
tutorial update pictures

6 years agologin page picture
Cezary Czaplewski [Tue, 5 Dec 2017 20:07:38 +0000 (21:07 +0100)]
login page picture

6 years agologin page text
Cezary Czaplewski [Mon, 4 Dec 2017 03:00:27 +0000 (04:00 +0100)]
login page text

6 years agoremd output and tutorial update
Cezary Czaplewski [Sat, 2 Dec 2017 23:07:33 +0000 (00:07 +0100)]
remd output and tutorial update

6 years agotutorial update
Cezary Czaplewski [Sat, 2 Dec 2017 19:12:47 +0000 (20:12 +0100)]
tutorial update

6 years agotutorial added
Cezary Czaplewski [Sat, 2 Dec 2017 01:05:10 +0000 (02:05 +0100)]
tutorial added

6 years agonavbar and some corrections
Cezary Czaplewski [Tue, 28 Nov 2017 18:02:05 +0000 (19:02 +0100)]
navbar and some corrections

6 years agojs select model
Cezary Czaplewski [Sat, 25 Nov 2017 21:19:21 +0000 (22:19 +0100)]
js select model

6 years agojs expand/collaps input details
Cezary Czaplewski [Fri, 24 Nov 2017 22:34:09 +0000 (23:34 +0100)]
js expand/collaps input details

6 years agoexample re 1e0g correction
Cezary Czaplewski [Tue, 21 Nov 2017 00:04:57 +0000 (01:04 +0100)]
example re 1e0g correction

6 years agoexamples correction
Cezary Czaplewski [Mon, 20 Nov 2017 23:07:37 +0000 (00:07 +0100)]
examples correction

6 years agouse pdbid to load pdb and set all examples
Cezary Czaplewski [Mon, 20 Nov 2017 21:43:07 +0000 (22:43 +0100)]
use pdbid to load pdb and set all examples

6 years agouse pdbid to load pdb and set example input
Cezary Czaplewski [Mon, 20 Nov 2017 18:44:30 +0000 (19:44 +0100)]
use pdbid to load pdb and set example input

test using min only

6 years agolinks without login only for lazy user
Cezary Czaplewski [Sun, 19 Nov 2017 19:14:53 +0000 (20:14 +0100)]
links without login only for lazy user

6 years agoremd ex plot colormap
Cezary Czaplewski [Sat, 18 Nov 2017 10:53:10 +0000 (11:53 +0100)]
remd ex plot colormap

6 years agoversion
Cezary Czaplewski [Sat, 18 Nov 2017 00:42:25 +0000 (01:42 +0100)]
version

6 years agolink/refresh single lazy job
Cezary Czaplewski [Fri, 17 Nov 2017 23:29:37 +0000 (00:29 +0100)]
link/refresh single lazy job

6 years agono empty name in single lazysignup job
Cezary Czaplewski [Sat, 11 Nov 2017 19:05:47 +0000 (20:05 +0100)]
no empty name in single lazysignup job

6 years agosingle job for all options
Cezary Czaplewski [Sat, 11 Nov 2017 11:35:08 +0000 (12:35 +0100)]
single job for all options

6 years agosingle job without login details page with refresh
Cezary Czaplewski [Sat, 11 Nov 2017 03:26:18 +0000 (04:26 +0100)]
single job without login details page with refresh

6 years agoBOX dimensions input in advanced mode
Cezary Czaplewski [Fri, 10 Nov 2017 21:06:59 +0000 (22:06 +0100)]
BOX dimensions input in advanced mode

6 years agolazy_user singe job only
Cezary Czaplewski [Fri, 10 Nov 2017 20:18:21 +0000 (21:18 +0100)]
lazy_user singe job only

6 years agodjango-lazysignup convert to reg user
Cezary Czaplewski [Wed, 8 Nov 2017 23:52:33 +0000 (00:52 +0100)]
django-lazysignup convert to reg user

6 years agodjango-lazysignup
Cezary Czaplewski [Wed, 8 Nov 2017 22:58:21 +0000 (23:58 +0100)]
django-lazysignup

6 years agorefine re dss script correction
Cezary Czaplewski [Mon, 6 Nov 2017 21:35:56 +0000 (22:35 +0100)]
refine re dss script correction

6 years agotodo
Cezary Czaplewski [Thu, 12 Oct 2017 08:56:36 +0000 (10:56 +0200)]
todo

6 years agogitignore and todo
Cezary Czaplewski [Mon, 9 Oct 2017 20:28:35 +0000 (22:28 +0200)]
gitignore and todo