Eigenstate/dabble-v2.6.3.zip
Eigenstate-dabble-f788892
.bumpversion.cfg
253 Bytes
.gitignore
678 Bytes
.travis.yml
834 Bytes
Dabble
__init__.py
854 Bytes
builder.py
46.1 kB
fileutils.py
12.7 kB
lipid_membranes
popc.mae
6.9 MB
tip3pbox.mae
79.3 kB
molutils.py
20.3 kB
param
__init__.py
367 Bytes
amber.py
38.8 kB
ambermatcher.py
33.9 kB
charmm.py
43.7 kB
charmm_parameters
00toppar_file_format.txt
13.0 kB
hoh.lib
1.4 kB
par_all36_carb.prm
158.9 kB
par_all36_cgenff.prm
556.6 kB
par_all36_lipid.prm
29.0 kB
par_all36_na.prm
61.2 kB
par_all36_prot.prm
185.4 kB
par_all36m_prot.prm
179.6 kB
top_all36_caps.rtf
2.1 kB
top_all36_carb.rtf
294.0 kB
top_all36_cgenff.rtf
1.4 MB
top_all36_lipid.rtf
635.6 kB
top_all36_na.rtf
37.3 kB
top_all36_prot.rtf
73.6 kB
top_water_ions.rtf
2.9 kB
toppar_all.history
30.4 kB
toppar_all36_prot_fluoro_alkanes.str
9.6 kB
toppar_all36_prot_na_combined.str
71.1 kB
toppar_water_ions.str
10.0 kB
charmmmatcher.py
23.7 kB
moleculematcher.py
13.2 kB
vmdsilencer.py
3.0 kB
LICENSE
18.1 kB
MANIFEST.in
246 Bytes
README.md
731 Bytes
amber_rst2cms_v_noparams.py
19.7 kB
bld.bat
51 Bytes
build.sh
39 Bytes
convert_step5_to_dabble.py
1.1 kB
dabble
10.9 kB
docs
Makefile
7.0 kB
_build
html
.buildinfo
230 Bytes
.nojekyll
0 Bytes
CNAME
20 Bytes
_images
dabblebox.png
794.6 kB
_sources
command_line.txt
10.2 kB
index.txt
2.3 kB
parameter_api.txt
6.0 kB
_static
ajax-loader.gif
673 Bytes
basic.css
9.5 kB
comment-bright.png
3.5 kB
comment-close.png
3.6 kB
comment.png
3.4 kB
css
badge_only.css
3.4 kB
theme.css
90.9 kB
doctools.js
7.4 kB
down-pressed.png
347 Bytes
down.png
347 Bytes
file.png
358 Bytes
fonts
fontawesome-webfont.eot
38.2 kB
fontawesome-webfont.svg
202.1 kB
fontawesome-webfont.ttf
80.7 kB
fontawesome-webfont.woff
44.4 kB
jquery-1.11.1.js
282.8 kB
jquery.js
95.8 kB
js
theme.js
1.7 kB
minus.png
173 Bytes
plus.png
173 Bytes
pygments.css
4.0 kB
searchtools.js
17.9 kB
underscore-1.3.1.js
35.2 kB
underscore.js
12.1 kB
up-pressed.png
345 Bytes
up.png
345 Bytes
websupport.js
25.4 kB
api_examples.html
9.1 kB
builder_api.html
49.1 kB
command_line.html
23.3 kB
genindex.html
19.4 kB
index.html
10.6 kB
objects.inv
1.1 kB
parameter_api.html
41.7 kB
py-modindex.html
7.1 kB
search.html
6.6 kB
searchindex.js
12.0 kB
utility_programs.html
8.7 kB
_static
dabblebox.png
794.6 kB
command_line.rst
10.2 kB
conf.py
8.4 kB
index.rst
2.3 kB
parameter_api.rst
6.0 kB
get_restraint_mask.py
4.1 kB
meta.yaml
513 Bytes
setup.py
1.1 kB
test
3NOB
analogies.frcmod
1.1 kB
dabbled.inpcrd
657.6 kB
dabbled.prmtop
3.6 MB
glx.off
1.9 kB
glypart.mol2
891 Bytes
join.frcmod
359 Bytes
join.mol2
2.9 kB
join_typed.mol2
2.8 kB
lyspart.mol2
2.2 kB
lyx.off
3.5 kB
prepped.mae
448.9 kB
test_3nob.py
1.8 kB
amber_params.tar.gz
6.2 MB
arrestin_po4_cyp
CYP_v1.str
10.6 kB
analogies.frcmod
1.6 kB
cyp.frcmod
178 Bytes
cyp.off
8.2 kB
rho_arr_CYP_prepped_aligned_dowsered.mae
2.5 MB
test_arrestin_cyp.py
6.1 kB
b2ar_multiligand
B2AR_10ALPs.mae
1.0 MB
B2AR_10ALPs_renamed.mae
1.0 MB
alp.frcmod
418 Bytes
alp.off
6.2 kB
alprenolol.prm
2.8 kB
alprenolol.rtf
2.8 kB
test_b2ar_alp_multiligand.py
3.9 kB
test_multiligand_correct.mae
8.0 MB
test_renamed_correct.psf
1.5 MB
graph_ligand
correct_mae.dot
2.0 kB
correct_str.dot
5.0 kB
correct_tyr.dot
2.2 kB
lsd_prot.mae
4.9 kB
lsd_prot_trunc.str
12.5 kB
masses.rtf
15.8 kB
phosphoserine.mae
7.2 kB
phosphoserine.str
6.9 kB
test_graph_ligand.py
3.4 kB
lsd
07HT2B_WT.mae
1.2 MB
lsd.frcmod
2.7 kB
lsd.lib
6.9 kB
test_lsd.py
1.7 kB
moleculematcher
ala.lib
2.2 kB
leaprc.gaff
1.8 kB
leaprc.skelly
1.8 kB
lsd.lib
6.9 kB
lsd_prot.mae
4.9 kB
test_matcher.py
4.3 kB
relaxin
2MV1_dowserwat.mae
124.3 kB
test_relaxin.py
2.5 kB
rho_c_tail
rho_test.mae
59.5 kB
test_rho_tail.py
3.4 kB
runtests.py
233.8 kB