7cdd671f9654842e3aabc8ac9e7a896f *DESCRIPTION
0c5fe1d874700cc5329b9d7db5e8eb01 *NAMESPACE
54060ed11db487b133c39ba49160d85c *NEWS.md
ed7614b0657ba7fd2243466ebbf2e599 *R/IO_data.R
840753123af9f5f6b2273b987e60dadc *R/MDaRes-package.R
376225a99a2742471409a282c42d2257 *R/MI_matrix.R
2ac6e1391705d053789ba87261db4a00 *R/RcppExports.R
92135d36d044c4d45947020ad66479f0 *R/encoding.R
2ddb9362831688bef7db1a77fe5e4c63 *R/encoding_helpers.R
c731972abc8541eca24047f77abb249b *R/plotting.R
7c7cc1286bdae656d7b0d799caeb3176 *R/pymol.R
e3dc721f7e5b0bfa626ae6440d1625c6 *R/ranking.R
4e6f2fe5e7976b283b63f418b4147ec8 *R/shannon_entropy.R
0559c4bbe7898a7f2bd026684f0eb27c *R/uniprot_annotation.R
7687e6f16e51aba6a927501aed1310b9 *R/zzz-globals.R
b720ed305c327fdeb6bffe16cf68df1b *R/zzz-imports.R
d41d8cd98f00b204e9800998ecf8427e *README.md
700728af6c5e0e843e43ee6bdb30312d *inst/SA/A.pdb
63edb6544d5994b49252cd02e3ee360a *inst/SA/B.pdb
a3bfde6d60cfe9d9a3799382b746625a *inst/SA/C.pdb
cf42401c4d68fcc42b23ac964fe5c97b *inst/SA/D.pdb
7fa56f623f1fda5d595bb65a2621c6df *inst/SA/E.pdb
6a42a6f7bba7006364d0c9aa7caa3547 *inst/SA/F.pdb
d3ac6934dee378aa60296b3aecf0f415 *inst/SA/G.pdb
c18148b1a44adfc04dfd597ed80b9e82 *inst/SA/H.pdb
d8521481c05abe394ad1fb85ccc29c31 *inst/SA/I.pdb
e092afcb77567ef51ffd4a843021eb1a *inst/SA/J.pdb
5dd73961339576b2deb0fe9df85a3747 *inst/SA/K.pdb
3bc1074b8ac7894ca33e834c2dbabc39 *inst/SA/L.pdb
e10a2b073b6629ea3c57652940444378 *inst/SA/M.pdb
bbd9490e669bc8c61d1db74bafca5260 *inst/SA/N.pdb
4dbd0026280494721ba4e332e46e43ff *inst/SA/O.pdb
1355977f49b289924c192251d205598d *inst/SA/P.pdb
39f2d66c9e599f2573606302eda3a39d *inst/SA/Q.pdb
403168b783eb63211628b376bf3de76b *inst/SA/R.pdb
fc777abaafd6e26b4cda59519bcabf64 *inst/SA/S.pdb
93218deb7c288908cf4dc2bbe2357c6c *inst/SA/T.pdb
d1bf4b641d72343912c5757682207cd7 *inst/SA/U.pdb
761f2bb159ac4a7000aba5a2c4515fb2 *inst/SA/V.pdb
c36281e0572e9a074c283a2c5bc7757d *inst/SA/W.pdb
89789d18af4d093812ce0b01ee3a5b4f *inst/SA/X.pdb
756949ec264aace66effae8d16f7def8 *inst/SA/Y.pdb
432912857d2392f6b7df731493d3e406 *inst/extdata/example_MI.RDS
aca427a8b0c6bbb82f71cd460a3ad76b *inst/extdata/example_MI_ranking_median.RDS
9ffd580959ef7c0e42f097607adab9b9 *inst/extdata/example_calpha.xtc
9eadbf817e914a01a1b15bea2a99e592 *inst/extdata/example_calpha_ref.pdb
9eadbf817e914a01a1b15bea2a99e592 *inst/extdata/example_calpha_top.pdb
c04c01a433dbea477b272ebd7b6d122c *inst/extdata/example_encoding.RDS
dc1bfe6bc3fe9f9ecc89a09362b878f3 *inst/extdata/example_encoding_2.RDS
bd0c9e789561c406471444e122e06337 *inst/extdata/example_shannon_entropy.RDS
7c4ea1375bcba4758d4b4f876694cb3c *inst/extdata/example_shannon_entropy_2.RDS
a837915db4ce4c4447676a467835fe68 *inst/extdata/example_shannon_ranking.RDS
4f999f36069f59a9120f274fb45b5f37 *inst/extdata/example_total_ranking.RDS
fdfe622b655d8811079532b902e2478b *inst/workflow/mdares_generic_workflow.R
a3b6ef07e0e3145b5160be2819d2d86f *man/MDaRes-package.Rd
a0128a1726fcb51890615c50142fb2fd *man/MI_plot.Rd
681c960dc88f3de221cfcaeffd45dbfc *man/MI_ranking_couple.Rd
1b9414ddd08e4783e11976e3ca3769ff *man/MI_ranking_median.Rd
b9ccbb5100e2052e76f8509c58269a25 *man/MImat.Rd
d10ab66aa6bd21f98c3ccf95e73a0075 *man/SA_encoding.Rd
019510f6780cc0d81f1879bfefe8e40e *man/add_active_site.Rd
e2cd7365e1e0b3e5e503180d4a2170de *man/add_binding_site.Rd
6a56e990f19587c1f86c6861947b47e1 *man/add_disulfide_bond.Rd
f4d35d0e519344e0849c59d922502619 *man/add_domain.Rd
7c5d57899f2e1eb080bb4d67b5b2aa24 *man/add_glycosilation.Rd
571cca9d2d6fa5ab4da361e6cbd588bb *man/add_lipidation.Rd
ed2dd70a72c0214e3bb960912c2a61ba *man/add_location.Rd
82e59ab3c9cc8e774ad62c4c389376cf *man/add_modified_residue.Rd
6a6b3c56d29b719693691dc8960ec3b4 *man/add_molecule_processing.Rd
903dedbd781daa5d63c3d4f803ace08d *man/add_motive.Rd
dd605b95f9a82b7d9615985d29faa67e *man/add_secondary_structure.Rd
3fa695a5cbdbb72cf69ac15cff085bbd *man/add_uniprot_annotation.Rd
cbf1ad256c47657698aab00bd72391dd *man/add_variants.Rd
b0dcf23aa345e8f5b075101b1b5203a6 *man/build_SA_matrix.Rd
41ab808935f4d4429eaa5363d1e6d32d *man/colnames_substring.Rd
6f9533e455d7422b9777b95468a0e1d7 *man/create_annotation_df.Rd
f36d85226d74eb6d34818ed315e87ea6 *man/do_MI_plot.Rd
2e226c860050dccbad4bec9fd15c1cdf *man/do_freq_diff_plot.Rd
bbd0c927e093d86372cd7a4100827362 *man/do_freq_plot.Rd
018b8f049036abe1d23d618030be2738 *man/do_shannon_entropy_diff_plot.Rd
337000e7847dd9e1767c84f44152101a *man/do_shannon_entropy_plot.Rd
5659b8d60f3b62f32bc72630490585a9 *man/entropy_visualization.Rd
c9157cdecd8674683c7b659c352adfa8 *man/freq_diff_plot.Rd
23306f0f5ccaf31e7c1f432e43c9ebf8 *man/freq_plot.Rd
0b3b4e9740ec1b22c0790f2b7c8114f0 *man/generate_fragment_colnames.Rd
ff6adcc3f3ed5b301b39f5d83924edaa *man/get_res_numbering.Rd
e4646455f4f4e5980c095d56c791da95 *man/import_SA.Rd
8c7978b4ca54e06ef13f2b8b1624ad3c *man/nMImat.Rd
8ddb59c70eafd0ff78e0b370cb4a8e82 *man/pdb_chain_trim.Rd
6827de5e0a539d59583f17c3838eb2aa *man/read_pdb_cif.Rd
8a10a53252c20b35fe870a38b2c9324d *man/shannon_entropy.Rd
c017e62695f03dd572474744f3e320a6 *man/shannon_entropy_diff_plot.Rd
00cfc54e81b4734090107b8a47a07c3d *man/shannon_entropy_plot.Rd
3f788ce700b6df87ed43e1ad382d46bf *man/shannon_ranking.Rd
aa2441fb861c1ad8794c8f2fdc0c451a *man/total_ranking.Rd
c80a3deb8befbb5f4476da9ca1f5394a *man/xyz_matrix_to_vector.Rd
135e84158c5d3f76a0b0c95761f24b2b *src/RcppExports.cpp
8aa921b77f7cbf187ee63b3c45acb7a5 *src/encoding_rmsd_qcp_25_SINGLE.cpp
415ff5fc2aaa17b5862dae3674ef30c6 *tests/testthat.R
f996841892ca71e07c1c681b591bf422 *tests/testthat/test-add-uniprot-annotation.R
d6ea919f90788b9940f7a136b2a30b5a *tests/testthat/test-do-freq-diff-plot-example.R
3ef6ebd7957b598737f65046a44c8df5 *tests/testthat/test-do-freq-plot-example.R
e925a6ba44780bd20ea1aad57c8a74a0 *tests/testthat/test-do-mi-plot-example.R
f6bd16cffc5cf4011ab5dcd671149019 *tests/testthat/test-do-shannon-entropy-diff-plot-example.R
0c640a42655cddafbde5a4ab999e0158 *tests/testthat/test-do-shannon-entropy-plot-example.R
a2ca06f24ecdf7a4199a168cd83caeb4 *tests/testthat/test-entropy_visualization.R
b1c93866c5529d9ccf441c4a370a9d17 *tests/testthat/test-freq-diff-plot-example.R
7e9861cdd4d0ecce774ed6eb45e2988a *tests/testthat/test-freq-plot-example.R
25e0647f7c44edb214d55471dc89410d *tests/testthat/test-import-sa.R
31110d91ff0f422a4f522d487a03924b *tests/testthat/test-mi-plot-example.R
7c575d9e65b2d6e5ebab546f90b189e6 *tests/testthat/test-mi-ranking-couple-example.R
051b3366f691361506dafb0b0eb6ebcd *tests/testthat/test-mi-ranking-median-example.R
c2248dd6eaabb2df0bd7908f58ae17e3 *tests/testthat/test-mimat-example.R
286573d2ace6f12cef250b88770e5cf0 *tests/testthat/test-sa-encoding-example.R
20e84de3036c0423ea8fbda41938f8a4 *tests/testthat/test-shannon-entropy-diff-plot-example.R
c9ad3218d4fda15e313207aba97ae30c *tests/testthat/test-shannon-entropy-example.R
9619155f240fe9f042ef0e68d3cb9c02 *tests/testthat/test-shannon-entropy-plot-example.R
f53c8d3ac1fd9ca1432c042a048ca192 *tests/testthat/test-shannon-ranking-example.R
594de89d0c94ea8f8f311883c0c4f9a2 *tests/testthat/test-total-ranking-example.R
12735fbb0d6cd93d53f6f50468454f9b *tests/testthat/test-uniprot-adders.R
6564b6d6edfbed3267aee4b47fccb086 *tests/testthat/test-uniprot-failure-handling.R
