866019178b9ff20e6cf5f5c96aba1243 *DESCRIPTION
e77218a435d2099812b77fde8d63b982 *INDEX
22063d748fc4e92aeb520c9bd3ef1a87 *LICENSE
b7b84e0d694c1c55890c0ef93ebaa471 *Meta/Rd.rds
ac71f265af33ca997e10ed3be8982b50 *Meta/hsearch.rds
d71e3e9e080bf64a4fe44a596f5aa886 *Meta/links.rds
fae9c6efb4b56031e692b72b99a79c1a *Meta/nsInfo.rds
3117fd3bd072be813ac459eb09afe332 *Meta/package.rds
21e3375123c8a6cc03a66a9bf8286cab *Meta/vignette.rds
4d78187ec9eb097b763538a2041e666d *NAMESPACE
ada741dde0afa1a9ef1aba068104ab44 *NEWS.Rd
ebf0fc819595d631b8bf280c4b049940 *R/ChemmineOB
06f6e901346ff563f2b4f9843a1ed62c *R/ChemmineOB.rdb
3415149ef4752213674e058f6b1970bb *R/ChemmineOB.rdx
9a673e21221499adf28c0c82e7c97132 *doc/ChemmineOB.R
f1da2c18f3b5f4cf54d426064c4ed5ea *doc/ChemmineOB.Rnw
f1ce9f7611ab3157d047159295a8281f *doc/ChemmineOB.pdf
5dbd6bd6fce88e8778555ad0b6ac0251 *doc/bibtex.bib
72a5f09c2e067d766c9057fac0c3adea *doc/index.html
90b685beb30f1b53c2560880d2f95aa2 *help/AnIndex
a018adb265e758f7e8402286725001d0 *help/ChemmineOB.rdb
69cb814ad8d076caec51c619d4a8e858 *help/ChemmineOB.rdx
46ba9dc2b0b4835901c0469f18e02cdd *help/aliases.rds
846fa21ca5f944f9f8bcb1c5c82d709f *help/paths.rds
9d30e51f00eb2bf21be22772225430d8 *html/00Index.html
444535b9cb76ddff1bab1e1865a3fb14 *html/R.css
caf81f2bd7f23dcc3b34154bd4442c7f *libs/i386/ChemmineOB.dll
5f10b20acdb54d94f4cc874af706464a *libs/x64/ChemmineOB.dll
7977cc21f976e301066fc7e1a24087bb *openbabel_data/CMakeLists.txt
6e7e46e3ce7697b27bf165c3117676ef *openbabel_data/MACCS.txt
d62b7aac73fb4055dd3f2aeb98dda223 *openbabel_data/SMARTS_InteLigand.txt
bd09cbd61ae3eb71e9c4491a72f980c5 *openbabel_data/UFF.prm
76e15817bceeb0312a39bc55fcbd318e *openbabel_data/aromatic.txt
3196562ddbea37d7c88ee1e352d5262f *openbabel_data/atomtyp.txt
044db1bcdc32a8fd20addbd499af6bd2 *openbabel_data/babel_povray3.inc
b3ed39af82f7e6e505508d4b8569f13e *openbabel_data/bin2hex.pl
e9e9d05957a0205eb4c79b29d4b1dee7 *openbabel_data/bondtyp.txt
6a267107c07c4c92a1be40c2fdf6d21c *openbabel_data/element.txt
b4ad971813d73c3f73dcaf942e74fbb9 *openbabel_data/fragments.txt
4944b8d67de5fee96bb0857d34aac376 *openbabel_data/gaff.dat
0d876fe9f6830cd92973d99d982d3efb *openbabel_data/gaff.prm
e447e65119abb7d678c9549206af8cc5 *openbabel_data/genheaders.sh
017288da0b33b5ac031c3519ab5695aa *openbabel_data/ghemical.prm
e745bff36a346d8f38b022654088b394 *openbabel_data/isotope-small.txt
e296716878102a6d7dcf05570f74a2d9 *openbabel_data/isotope.txt
2c57c871779ca051278202fc1ecf3bfd *openbabel_data/logp.txt
66f6f3c5c4068ef6841ff00f478561d7 *openbabel_data/mm2.prm
be5ff522617dea390361248f16a94091 *openbabel_data/mmff94.ff
2bbe89709f675596f1317b410a8d8040 *openbabel_data/mmff94s.ff
3ec8373f19462004155dce347c5a3a62 *openbabel_data/mmffang.par
2550d2b99e29f0069ea9b484704c12cf *openbabel_data/mmffbndk.par
6b746d9c565acd317f624b3965e86ac5 *openbabel_data/mmffbond.par
ee54141fedff2c456480ef13a32b35d3 *openbabel_data/mmffchg.par
6f0bcd30e4d2c039ba1ea417da5008cd *openbabel_data/mmffdef.par
54b36ddafa1e88c9b5b0042bee002f5a *openbabel_data/mmffdfsb.par
35e25b2bf875e6885b8c382119e33614 *openbabel_data/mmffoop.par
e52850fe6fe124d25b8ee130afb9164e *openbabel_data/mmffpbci.par
54be23e685e2768124bc0b6c2f32d654 *openbabel_data/mmffprop.par
d3ececbdd4eaac1f5bc662967f34cfca *openbabel_data/mmffs_oop.par
57465326131ae3aabec0a6d6c1be8133 *openbabel_data/mmffs_tor.par
e73d625bf9eca7444593392bcd79bbb8 *openbabel_data/mmffstbn.par
b620e7845df83c55a2672b27fdf71f78 *openbabel_data/mmfftor.par
d976d5a602b278fbc215a51260ad3643 *openbabel_data/mmffvdw.par
10b08da9d73604edf86ce1d52fc46600 *openbabel_data/mpC.txt
88bbaf8ed6e2bd380ba72bf1623dc706 *openbabel_data/mr.txt
f85f7071ed6b827d3556cf3bbfbb8cb3 *openbabel_data/patterns.txt
1f3ec77176601a2aa650fdfbd98ed28b *openbabel_data/phmodel.txt
eb8c0673c4975081b3f54aa1d5e51667 *openbabel_data/plugindefines.txt
b04f2b597cc496abebab0624e893ffba *openbabel_data/psa.txt
1a5a5b850c3fbbe8cac3e41fa6e56ea5 *openbabel_data/qeq.txt
0ddc021f6a63b15448b5d344f8b069c1 *openbabel_data/resdata.txt
bdc5ee07b21662173b30c0af388b86bf *openbabel_data/ringtyp.txt
8caa5f69721cc18746ae1cddcd87e25e *openbabel_data/space-groups.txt
eef3bcc25e500b0aff427b88108105d5 *openbabel_data/space-groups.xsl
7cd7574162bd11a439a876e9739e01db *openbabel_data/splash.png
c80caac0bb2878dcbd25af043f3bb4dc *openbabel_data/superatom.txt
69a30183e5762fba8db7dd083216db01 *openbabel_data/svgformat.script
37ad4cc1f246207912cbcaeddcf258ee *openbabel_data/templates.sdf
94bb63776410d9cebc54e6e3009a3957 *openbabel_data/torlib.txt
4fb75615acc82abcca77e4c8f63bd639 *openbabel_data/types.txt
96f4b540d45af667c2f1e03ae40cbcc0 *unitTests/test_conversions.R
d878be546068afb64b9252cdd2fefc78 *unitTests/test_main.R
