|
3f4324a7
|
Fixed colouring issue in "xrmsd()".
|
Christian Margreitter <c****r@a****m>
|
over 4 years ago
|
|
|
b8d6abb2
|
Bash interface fix.
|
Christian Margreitter <c****r@g****m>
|
over 4 years ago
|
|
|
eff3c512
|
Version 1.1.3 (finalized)
|
Christian Margreitter <c****r@g****m>
|
over 4 years ago
|
|
|
d2fc91d4
|
Version 1.1.2 (finalized)
|
kdmh016 <c****r@a****m>
|
about 5 years ago
|
|
|
f54b5152
|
Version 1.1.2
|
kdmh016 <c****r@a****m>
|
about 5 years ago
|
|
|
8b19feb8
|
version 1.1.1
|
percuisses <c****r@g****m>
|
almost 7 years ago
|
|
|
7d29941f
|
remove MANTICORE from "master" branch (III)
|
percuisses <c****r@g****m>
|
almost 7 years ago
|
|
|
21c3d423
|
remove MANTICORE from "master" branch (II)
|
percuisses <c****r@g****m>
|
almost 7 years ago
|
|
|
b995874a
|
remove MANTICORE from "master" branch (I)
|
percuisses <c****r@g****m>
|
almost 7 years ago
|
|
|
3ded7955
|
DESCRIPTION update
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
08e2a7b2
|
typo and NEWS update
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
456a3678
|
fixed bug in function "load_clusters_GROMACS()" leading to the strange behavi...
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
d8b14008
|
improved "tessellation.R"
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
fad0710c
|
small fixes
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
68c20d52
|
minor updates
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
7cf905a9
|
first "tessellation" functions implemented
|
Christian Margreitter <c****r@g****m>
|
almost 8 years ago
|
|
|
fb27aee1
|
minimial additions to plotting function "mem_tmc()" implementing the total me...
|
Christian Margreitter <c****r@g****m>
|
over 8 years ago
|
|
|
db8dfc05
|
moved file "MDplot.Rproj" to upper directory for simpler maintenance
|
assurbanipal <c****r@g****m>
|
over 8 years ago
|
|
|
5a0ca22d
|
added membrane function headers
|
assurbanipal <c****r@g****m>
|
over 8 years ago
|
|
|
27bcc2a7
|
changed file permissions
|
assurbanipal <c****r@g****m>
|
over 8 years ago
|
|
|
5d3664f1
|
merge
Merge branch 'master' of https://bitbucket.org/percuisses/mdplot
|
assurbanipal <c****r@g****m>
|
about 9 years ago
|
|
|
8445949c
|
merge
|
assurbanipal <c****r@g****m>
|
about 9 years ago
|
|
|
121b4125
|
added example figures and the link to the publication to the "README.md" gith...
|
Christian Margreitter <c****r@g****m>
|
about 9 years ago
|
|
|
09466ff9
|
removed enough execution to allow passing of the manual pages of functions "l...
|
Christian Margreitter <c****r@g****m>
|
about 9 years ago
|
|
|
1847445e
|
added "The R Journal" publication; finalized package version 1.0.1
|
Christian Margreitter <c****r@g****m>
|
about 9 years ago
|
|
|
065d1ceb
|
added parameter
|
Christian Margreitter <c****r@g****m>
|
about 9 years ago
|
|
|
ff73601e
|
added vignette infrastructure (not the static file, though) and added special...
|
Christian Margreitter <c****r@g****m>
|
about 9 years ago
|
|
|
5b55e483
|
update of file 'clusters_ts.Rd'
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
e83ed86e
|
update of README.md for 'github' page: including a 'non-GROMOS' call
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
35907d03
|
update of README.md for 'github' page
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
f3fa1921
|
updated outlook in file 'README.md'
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
ef48e19b
|
fixed some typos in the manual pages
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
f8200e4c
|
CRAN submission version 1.0.0
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
616d7b52
|
fixed issues in functions 'ramachandran()', 'load_noe()' and 'dssp()'
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
d92f8712
|
merge
Merge branch 'master' of https://bitbucket.org/percuisses/mdplot
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
2062bf8d
|
fixed XPM data treatment in functions 'load_hbond()' and 'load_hbond_ts()'
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
176a7b83
|
fixed XPM data treatment in functions 'load_hbond()' and 'load_hbond_ts()'
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
76c68581
|
version 1.0.0
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
80ddd95f
|
updated names of input
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
dbd06dee
|
fixed issues for '--cran'-compilation and updates 'NEWS', 'DESCRIPTION' and '...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
a5033c30
|
third (and final) part of manual adaption
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
716bd013
|
second part of manual adaption
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
394974b5
|
first part of manual adaption
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
8cbbe498
|
fifth and final part of AMBER adaption, functions 'load_clusters()', 'load_cl...
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
925d0ed0
|
fourth part of AMBER adaption, function 'load_rmsf()' added
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
0f3680db
|
fixed function 'load_rmsd()' for AMBER support (optimize at some point)
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
2f88d4b8
|
third part of AMBER adaption, function 'load_hbond()' extended and function ...
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
4248b6c5
|
second (and final) part of AMBER input files generated
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
ca335708
|
second part of AMBER adaption, functions 'load_hbond()', 'load_dssp()', 'load...
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
04870e47
|
first part of AMBER adaption, functions 'load_ramachandran()', 'load_rmsd()',...
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
9bc130a8
|
first part of AMBER input files generated
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
94ba942c
|
added AMBER support to function 'load_rmsd()'; fixed issue with GROMACS loadi...
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
0b2d66de
|
added GROMACS support to function 'load_ramachandran()'; function 'load_xrmsd...
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
cac383f9
|
added GROMACS support to function 'load_xrmsd()'
|
percuisses <c****r@g****m>
|
over 9 years ago
|
|
|
883eef53
|
added ramachandran example in GROMACS
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
e7576074
|
added example input for function 'load_noe()', given that parameter 'mdEngine...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
a5c6ec80
|
added GROMACS support to functions 'load_clusters()' and 'load_clusters_ts()'...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
1542fbbe
|
added GROMACS support to functions 'load_clusters()' and 'load_clusters_ts()'...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
725e0ba6
|
added GROMACS support to functions 'load_clusters()' and 'load_clusters_ts()'...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
35fd4a96
|
added GROMACS support for functions 'load_hbond()' and 'load_hbond_ts()' (all...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
849b24fc
|
added function 'split_GROMACS_atomnames()' and started implementation of GROM...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
6f4efe10
|
added function 'load_XPM()' to load "X PixMap" data as commonly produced by G...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
7be32626
|
added GROMACS support and updated documentation for 'load_dssp_summary()' and...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
f486a120
|
added GROMACS support and updated documentation for 'load_rmsd()' and 'load_r...
|
assurbanipal <c****r@g****m>
|
over 9 years ago
|
|
|
62af9614
|
new 'rmsd()' tick management
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
e8a4593c
|
minor changes in several files
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
c4c67787
|
finalized functions 'noe()' and 'load_noe()' including support for comparisons
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
58fdc23f
|
added functions 'noe()' and 'load_noe()'
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
b1da813c
|
some
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
32727db9
|
fixed 'NAMESPACE' file (really)
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
fbe11f89
|
fixed 'NAMESPACE' file
|
christian <c****r@b****t>
|
about 10 years ago
|
|
|
5b35d2ab
|
fixed 'average_rmsd()' in file 'rmsd.R' to properly draw the minimum, mean an...
|
assurbanipal <s****t@h****m>
|
about 10 years ago
|
|
|
48af267d
|
merge
Merge branch 'master' of https://github.com/MDplot/MDplot
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
d11c7be3
|
fixes
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
21d29b1f
|
Update README.md
|
percuisses <c****r@g****m>
|
over 10 years ago
|
|
|
3a05bdeb
|
Update README.md
|
percuisses <c****r@g****m>
|
over 10 years ago
|
|
|
39e579ab
|
version fix
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
de1a5ce1
|
new version 0.31, finalized
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
a89b80a4
|
fixed bug in 'ramachandran()' for plotType=fancy
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
37d56e29
|
started updating the return-issue now
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
fb66b5fc
|
nothing really done
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
ed840606
|
'xrmsd.R' update for ellipsis (...)
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|
|
16aa220c
|
update of
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
a952e978
|
added flags 'printErrors' and 'errorBarTreshold' to function 'TIcurve()'
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
c4a72610
|
updated 'README.md'
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
d923fbcb
|
updated 'README.md'
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
ad079294
|
version 0.3 finalized
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
824858cf
|
version 0.3 finalized
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
6ee10f0e
|
version 0.3: fourth fixes
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|
|
c45561ab
|
Update README.md
|
percuisses <c****r@g****m>
|
over 10 years ago
|
|
|
f15537da
|
Update README.md
|
percuisses <c****r@g****m>
|
over 10 years ago
|
|
|
c19ee271
|
Create README.md
|
percuisses <c****r@g****m>
|
over 10 years ago
|
|
|
8fcbcc2d
|
version 0.3: third fixes
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
3829de74
|
version 0.3: second fixes
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
c6c86889
|
version 0.3: first fixes
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|
|
301e2365
|
version 0.3 initial
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
c6e8822d
|
fix: 'load_dssp_summary()'
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
4d4b7137
|
minor change
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|
|
a49071fa
|
merge
done merging
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|
|
dcfbef1a
|
merging
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|