585b3bbc5f541b0d76435904fe4e5143 *DESCRIPTION
f308393e997dc613a7310809fff9a623 *INSTALL
22063d748fc4e92aeb520c9bd3ef1a87 *LICENSE
2fd337704c1a285c01935085025caf0f *NAMESPACE
490789c55139ff9c44a19a78194906e1 *R/ChemmineOB.R
44105adc1f3a125f1650c4df09eb4e67 *R/wrappers.R
f4f43d835d2eacb802c52a8ebe59ca7a *README.md
56ed55ba58d4f4ad36bf11333c67de61 *build/vignette.rds
c3cded853a2388ad53569a7105d1c1e3 *cleanup
1e7d9e111016771c77b9a16dd89b840f *configure
626ff3598c1114d05c0e8fad4382a8e2 *configure.ac
cd38ddb4de0b8157458314e991f9a508 *inst/NEWS.Rd
8554c1ef4b6152a83313f27850402f58 *inst/doc/ChemmineOB.R
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017288da0b33b5ac031c3519ab5695aa *inst/openbabel_data/ghemical.prm
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1f3ec77176601a2aa650fdfbd98ed28b *inst/openbabel_data/phmodel.txt
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1a5a5b850c3fbbe8cac3e41fa6e56ea5 *inst/openbabel_data/qeq.txt
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8caa5f69721cc18746ae1cddcd87e25e *inst/openbabel_data/space-groups.txt
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7cd7574162bd11a439a876e9739e01db *inst/openbabel_data/splash.png
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69a30183e5762fba8db7dd083216db01 *inst/openbabel_data/svgformat.script
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4fb75615acc82abcca77e4c8f63bd639 *inst/openbabel_data/types.txt
d162ed9371c2d5249571e816c496ece1 *inst/unitTests/test_conversions.R
3101d25f93c0d91637c4fa6e2f4d8033 *inst/unitTests/test_main.R
9245887f4bac4341d81f0d528f80eb72 *man/OB-classes.Rd
6563dee0b7abc3f447cbd4ba9e4809d5 *man/canonicalNumbering_OB.Rd
0c13bb8d05c78f75074006ea531327b6 *man/convertFormat.Rd
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57da15881afd16bae065d4ed2d1a6271 *man/convertToImage.Rd
440866f13d72e4e5aa7102a054adf7b6 *man/exactMass_OB.Rd
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0fbf59cb7a8a94f52173665a11f972a1 *man/forEachMol.Rd
33b0e0ef5e501616eeeaa8025fa6c5c1 *man/prop_OB.Rd
0724865733c34f9a2e7ba294a05bed9a *man/smartsSearch_OB.Rd
fe15c5dfc5c44b683db5165c569e9389 *src/ChemmineOB.cpp
815ed890597e4258e0a08247a0e94b0c *src/Makevars.in
1c0c92a1a13cdd9fbf666fe52b864085 *src/Makevars.win
215da08d0fcac300882897df8772bc0f *src/canonical.cpp
0417ce8b5ad9d6de5ed290bb2d2a3a92 *tests/runTests.R
65c639d05e2f2bb94fdc7d5158956bf5 *vignettes/ChemmineOB.Rmd
60f14805d756e1ff4932a589236d5c8a *vignettes/ChemmineOB.Rmd_bootstrap
0ec5c5a160a9e46a85fd777ada849a03 *vignettes/Makefile_bootstrap
0feb538bf315dfa34e8c1f191af6893b *vignettes/header.html
4d2faee369a2e506c60779bf3de639c5 *vignettes/html.template_bootstrap
1c3f3f70898c297e2b48a532c3d371db *vignettes/references.bib
