"Fossies" - the Fresh Open Source Software Archive

Contents of openbabel-3.1.1-source.tar.bz2 (8 May 2020, 27743669 Bytes)

About: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.



Fossies downloads: /linux/miscopenbabel-3.1.1-source.tar.bz2  (tar.gz|tar.xz|zip)
Fossies services: Doxygen docs | CLOC analysis
Original URL: https://github.com/openbabel/openbabel/releases/download/openbabel-3-1-1/openbabel-3.1.1-source.tar.bz2
Home page: https://openbabel.org/
VirusTotal check: Ok
Member paths+URLs:  Shortened | full
Member sort order:  docs related (infos|docs|other) | original | size (top100) | date | path | name | ext | top-path files

Basic infos (README, FAQ, INSTALL, ChangeLog, ...):
     465 2020-05-08 17:41 AUTHORS
    1211 2020-05-08 17:41 authors.txt
   15146 2020-05-08 17:41 COPYING
    2215 2020-05-08 17:41 INSTALL
    1703 2020-05-08 17:41 README.md
    1940 2020-05-08 17:41 THANKS
   10777 2020-05-08 17:41 doc/FAQ.html
     267 2020-05-08 17:41 doc/README.dioxin.pov
    5444 2020-05-08 17:41 doc/README.povray
    1239 2020-05-08 17:41 tools/README
    2809 2020-05-08 17:41 scripts/python/README.rst
    1662 2020-05-08 17:41 scripts/java/README
    2244 2020-05-08 17:41 scripts/perl/README
    2439 2020-05-08 17:41 scripts/R/README
    3826 2020-05-08 17:41 scripts/ruby/README
     554 2020-05-08 17:41 scripts/scala/README

Basic docs (manual pages, PDF-,HTML-,/doc/-files, ...):
     826 2020-05-08 17:41 doc/api-footer.html
     521 2020-05-08 17:41 doc/api-header.html
    1247 2020-05-08 17:41 doc/CMakeLists.txt
   20210 2020-05-08 17:41 doc/dioxin.inc
    2365 2020-05-08 17:41 doc/dioxin.mol2
     437 2020-05-08 17:41 doc/dioxin.pov
    9454 2020-05-08 17:41 doc/obabel.1
   12671 2020-05-08 17:41 doc/obabel.html
    1574 2020-05-08 17:41 doc/obchiral.1
    2786 2020-05-08 17:41 doc/obchiral.html
    1850 2020-05-08 17:41 doc/obconformer.1
    3124 2020-05-08 17:41 doc/obconformer.html
    1388 2020-05-08 17:41 doc/obdistgen.1
    2131 2020-05-08 17:41 doc/obenergy.1
    3576 2020-05-08 17:41 doc/obenergy.html
    2312 2020-05-08 17:41 doc/obfit.1
    3620 2020-05-08 17:41 doc/obfit.html
    2099 2020-05-08 17:41 doc/obgen.1
    3501 2020-05-08 17:41 doc/obgen.html
    2902 2020-05-08 17:41 doc/obgrep.1
    4572 2020-05-08 17:41 doc/obgrep.html
     731 2020-05-08 17:41 doc/obgui.1
    1665 2020-05-08 17:41 doc/obgui.html
    2498 2020-05-08 17:41 doc/obminimize.1
    4054 2020-05-08 17:41 doc/obminimize.html
    2250 2020-05-08 17:41 doc/obprobe.1
    3649 2020-05-08 17:41 doc/obprobe.html
    2097 2020-05-08 17:41 doc/obprop.1
    3471 2020-05-08 17:41 doc/obprop.html
    2350 2020-05-08 17:41 doc/obrms.1
    1766 2020-05-08 17:41 doc/obrotamer.1
    3012 2020-05-08 17:41 doc/obrotamer.html
    3173 2020-05-08 17:41 doc/obrotate.1
    4662 2020-05-08 17:41 doc/obrotate.html
    3064 2020-05-08 17:41 doc/obspectrophore.1
    4458 2020-05-08 17:41 doc/obspectrophore.html
    1376 2020-05-08 17:41 doc/obsym.1
    1412 2020-05-08 17:41 doc/obtautomer.1
    1688 2020-05-08 17:41 doc/obthermo.1
    9316 2020-05-08 17:41 doc/OBTwoMigration.html
    7099 2020-05-08 17:41 doc/OpenBabelGUI.html
 1754107 2020-05-08 17:41 doc/openbabel.tags
    1650 2020-05-08 17:41 doc/roundtrip.1
     333 2020-05-08 17:41 doc/examples/CMakeLists.txt

First 50 (from 37814) other files:
    2229 2020-05-08 17:41 test/files/00T_ideal_het.pdb
    2229 2020-05-08 17:41 test/files/00T_ideal.pdb
    1965 2020-05-08 17:41 test/files/00T_nonstandard_het.pdb
    1965 2020-05-08 17:41 test/files/00T_nonstandard.pdb
    6923 2020-05-08 17:41 test/files/102Uridine.smi
    4570 2020-05-08 17:41 test/pdb_ligands_sdf/10gs_vww.sdf
    5425 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/10gs_vww.sdf
    4600 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/121p_gcp.sdf
    4012 2020-05-08 17:41 test/pdb_ligands_sdf/12gs_0hh.sdf
    5680 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/12gs_0hh.sdf
    3357 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/13gs_gsh.sdf
    3887 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/13gs_sas.sdf
    3932 2020-05-08 17:41 test/pdb_ligands_sdf/13gs_sas.sdf
    4148 2020-05-08 17:41 test/files/1519159.cif
    5018 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/17gs_gtx.sdf
    4706 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/18gs_gdn.sdf
    1571 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/19gs_bsp.sdf
    2614 2020-05-08 17:41 test/pdb_ligands_sdf/19gs_bsp.sdf
    3357 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/19gs_gsh.sdf
    2660 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a0g_pmp.sdf
    3631 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a0r_far.sdf
    3987 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a27_est.sdf
    6997 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a27_nap.sdf
    4765 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a28_str.sdf
    3976 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a2k_gdp.sdf
    6647 2020-05-08 17:41 test/pdb_ligands_sdf/1a2n_tet.sdf
    7360 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a2n_tet.sdf
    3058 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a35_bru.sdf
    3457 2020-05-08 17:41 test/pdb_ligands_sdf/1a42_bzu.sdf
    3995 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a42_bzu.sdf
    3892 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4g_zmr.sdf
    7159 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4h_gdm.sdf
    2964 2020-05-08 17:41 test/pdb_ligands_sdf/1a4l_dcf.sdf
    3216 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4l_dcf.sdf
    3015 2020-05-08 17:41 test/pdb_ligands_sdf/1a4m_prh.sdf
    3151 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4m_prh.sdf
    3997 2020-05-08 17:41 test/pdb_ligands_sdf/1a4q_dpc.sdf
    4957 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4q_dpc.sdf
    3976 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4r_gdp.sdf
    4025 2020-05-08 17:41 test/pdb_ligands_sdf/1a4r_gnh.sdf
    4059 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4r_gnh.sdf
    6538 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a4z_nad.sdf
    3039 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a53_igp.sdf
    3039 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a5b_igp.sdf
    3968 2020-05-08 17:41 test/pdb_ligands_sdf/1a5h_bba.sdf
    5057 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a5h_bba.sdf
    3162 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a5v_y3.sdf
    3340 2020-05-08 17:41 test/pdb_ligands_sdf/1a5v_y3.sdf
    2884 2020-05-08 17:41 test/pdb_ligands_sdf/rdkit_addh/1a69_fmb.sdf
    3250 2020-05-08 17:41 test/pdb_ligands_sdf/1a6v_npc.sdf
...

A hint: In order to limit the size of this page, in total 37764 archive member files not "information" or "documentation" related - are omitted here. But all those files can be found in the complete docs-related index file or in the originally, by date, by pathname, by filename or by file extension sorted index files (roughly file size each: 8.6 MB !!).
   MD5 (openbabel-3.1.1-source.tar.bz2): 581c78e6c89368b9f0c17cfb5cec8190
  SHA1 (openbabel-3.1.1-source.tar.bz2): 7cf04f36e05f592e7ec9f0817a929c7455d85f8b
SHA256 (openbabel-3.1.1-source.tar.bz2): a6ec8381d59ea32a4b241c8b1fbd799acb52be94ab64cdbd72506fb4e2270e68

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