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805e55b5
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minor fix
|
christian <c****r@b****t>
|
over 10 years ago
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a68557c9
|
URL added to DESCRIPTION
|
christian <c****r@b****t>
|
over 10 years ago
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61ee08fe
|
revision from CRAN (2): resubmission
|
christian <c****r@b****t>
|
over 10 years ago
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b1a4e8f7
|
revision from CRAN: resubmission
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
8111d7f0
|
fixed spelling errors
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
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44957ab5
|
merge
Merge branch 'master' of https://github.com/MDplot/MDplot
|
christian <c****r@b****t>
|
over 10 years ago
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535a34d4
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Delete LICENSE
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percuisses <c****r@g****m>
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over 10 years ago
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032ffd02
|
Initial commit
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percuisses <c****r@b****t>
|
over 10 years ago
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a8ec17fd
|
made package ready for CRAN upload and adde 'MDplot::rmsd()'-GROMACS input fi...
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christian <c****r@b****t>
|
over 10 years ago
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bd95f398
|
added support for GROMACS for 'MDplot::rmsd()'; added support for atom names ...
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christian <c****r@b****t>
|
over 10 years ago
|
|
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e5eb8df6
|
updated and tested 'MDplot::hbond()' and 'MDplot::hbond_ts()' thoroughly
|
christian <c****r@b****t>
|
over 10 years ago
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|
|
bdae7d38
|
updated and testd 'MDplot::xrmsd()', 'MDplot::rmsf()', 'MDplot::rmsd()', 'MDp...
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christian <c****r@b****t>
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over 10 years ago
|
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7833a039
|
updated and tested 'MDplot::dssp_summary()'; small update too
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assurbanipal <s****t@h****m>
|
over 10 years ago
|
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|
05667176
|
updated and tested 'MDplot::dssp_summary()'; small update too
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christian <c****r@b****t>
|
over 10 years ago
|
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18ba88cc
|
sanity changes done - final
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assurbanipal <s****t@h****m>
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over 10 years ago
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774940fb
|
sanity changes done - further
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assurbanipal <s****t@h****m>
|
over 10 years ago
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82628a48
|
sanity changes done
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assurbanipal <s****t@h****m>
|
over 10 years ago
|
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5e2953b0
|
added 'load_dssp_ts.Rd' and updated 'load_dssp.Rd' thoroughly
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assurbanipal <s****t@h****m>
|
over 10 years ago
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ad7922be
|
slight changes done
|
christian <c****r@b****t>
|
over 10 years ago
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f60b887e
|
first half of manual pages
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assurbanipal <s****t@h****m>
|
over 10 years ago
|
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d2bb3410
|
all man pages created
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assurbanipal <s****t@h****m>
|
over 10 years ago
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51876c9c
|
minor changes undocumented
|
assurbanipal <s****t@h****m>
|
over 10 years ago
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11a8f094
|
updates
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christian <c****r@b****t>
|
over 10 years ago
|
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cf2c3c85
|
added 'bars' option to 'MDplot::dssp_summary()', updated some stuff
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
1a982802
|
updated caption for 'MDplot::cluster_ts()' to be adaptive
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
2ab6bade
|
update of 'clusters_ts()' and manual entry
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christian <c****r@b****t>
|
over 10 years ago
|
|
|
f70d103a
|
updated 'dssp_summary()', 'dssp_ts()' and 'xrmsd()' thoroughly
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
935f0877
|
finished 'MDplot::rmsd()' and 'MDplot::rmsf()' and updated manuals
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
47c53f8b
|
renamed all functions; done are 'TIcurve()', 'clusters()', 'hbond()' and 'ram...
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
c1b7e273
|
'MDplot_clusters()' update and documentation
|
assurbanipal <s****t@h****m>
|
over 10 years ago
|
|
|
036f9e3a
|
'MDplot_ramachandran()' update and documentation
|
christian <c****r@b****t>
|
over 10 years ago
|
|
|
cd73ad1f
|
added heat-functionality to 'MDplot_ramachandran()' (at least for 'comic') an...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
725c39db
|
added functionality to 'MDplot_ramachandran()' and changed some calculations
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
bca1a2bc
|
added 'MDplot_averaging_DSSP_summary()
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
9d1d97d8
|
the script 'MDplot/bash/MDplot_bash.R' got some checks, the rest is minor
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
01f22095
|
exchanged 'NULL' stuff for argument parsing, added second graph and hysteresi...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
7b3eb826
|
improvements of 'MDplot_RMSD_average()' done
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
e2a05fb1
|
some minor fixes and bare functionality (with comments though) for 'MDplot_RM...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
b732ea2c
|
--- filler ---
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
2ccbc2cb
|
slight adaptations according to requirements imposed by presentation format
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
541bb713
|
--- filler ---
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
1a8571e2
|
finalized the functionality of 'MDplot_clusters_timeseries()' and added it to...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
654688bf
|
added 'MDplot_load_clusters_timeseries()' and bare functionality of 'MDplot_c...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
321e8cbb
|
first part of Bosses' suggestions and final 'MDplot_hbond_timeseries()' for now
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
c6a67805
|
completed 'MDplot_hbond_timeseries()' and added hbond-index to return table o...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
facbba22
|
added bare 'MDplot_hbond_timeseries()' and 'MDplot_load_hbond_timeseries()' f...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
6029f6c7
|
updates in 'MDplot_RMSD()' and 'MDplot_RMSF()' as well as small fixes
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
e4cc5b7d
|
--- filler ---
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
901be296
|
bug fix in 'MDplot_bash.R' for the cross-RMSD stuff (aaaahhhh)
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
5c636cad
|
bug fix in 'MDplot_bash.R' for the cross-RMSD stuff (this time really)
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
27d67602
|
bug fix in 'MDplot_bash.R' for the cross-RMSD stuff
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
2edb99ca
|
Implemented and tested 'MDplot_DSSP_timeseries()' and 'MDplot_XRMSD()' and th...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
b0e31b21
|
comments added to 'MDplot_XRMSD()' and 'MDplot_load_XRMSD()', and loading update
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
0f8220fb
|
initial functionality implemented for 'MDplot_XRMSD()' and 'MDplot_load_XRMSD...
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
be805993
|
added ellipsis in 'MDplot_DSSP_timeseries'
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
8f6988b7
|
DSSP timeseries (only rudimentary, without comments)
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
48a1cb3f
|
--- filler ---
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
857490db
|
all function (rudimentary) accessible
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
7ca9e3ec
|
more stable parsing, new parameters possible, extende plotting functionality
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
8ed8a0c5
|
added install scripts now
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
344bc9d5
|
added example script
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
c119a480
|
RMSF bare functionality and general helper functions
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
45aae05e
|
still working on it
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
9d85915e
|
still problem in parsing
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
6637774b
|
new structure started
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
968634fa
|
pre-redoing
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
fee179b5
|
Adding argument parsing (buggy)
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
f262981f
|
1) install packages 2) Clusters.R, RMSD.R and helperfunctions.R with comments
|
assurbanipal <s****t@h****m>
|
almost 11 years ago
|
|
|
9c9de238
|
1) new structure 2) hbond input update completed
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
694ff072
|
MDplot_TIcurve(): finished
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
13178dbf
|
MDplot_TI(): initial
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
0e069bf4
|
hbond 2D (no 'real' parsing yet)
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
aaf1ed9b
|
MDplot_clusters: update, MDplot_hbond: loading
|
christian <c****r@b****t>
|
almost 11 years ago
|
|
|
599a46d0
|
clusters added
|
christian <c****r@b****t>
|
about 11 years ago
|
|
|
7af9ee1a
|
selection added for MDplot_DSSP_summary
|
christian <c****r@b****t>
|
about 11 years ago
|
|
|
0aaa7ebe
|
initial
|
christian <c****r@b****t>
|
about 11 years ago
|
|