The settings for name, version and type from a contained tool configuration file's requirement tag does not match the information for the following tool dependency definitions in the tool_dependencies.xml file, so these tool dependencies have no relationship with any tools within this repository.
* name: numpy, type: package, version: 1.7.1
Repository revision
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Repository chemfp
Name: chemfp
Owner: bgruening
Synopsis: Chemfp tools for working with cheminformatics fingerprints in the FPS format
Chemfp is a set of command-line tools and a Python library for fingerprint generation
and high-performance similarity search. Chemfp supports the FPS exchange format for fingerprint data,
so if want something beyond the OpenEye, Open Babel and RDKit fingerprints that chemfp
supports then you can write your own FPS files and still use the fast Tanimoto search tool.
It also supports the FPB binary format for fast loading, which is handy fast web server reloads and subsecond command-line searches.

http://chemfp.com
Content homepage: https://chemfp.readthedocs.io/en/chemfp-1.5/
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp
Link to this repository revision: https://toolshed.g2.bx.psu.edu/view/bgruening/chemfp/43a9e7d9b24f
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/chemfp
Type: unrestricted
Revision: 1:43a9e7d9b24f
This revision can be installed: True
Times cloned / installed: 971
Dependencies of this repository

Repository dependencies - This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format) and the python numpy package.
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc
Repository package_eigen_3_1 revision baedf7f82cc3 owned by iuc (prior install required)
Repository package_cmake_3_2_3 revision 1aea698a1c63 owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_boost_1_55 revision 9cc5f2bc9a9c owned by iuc (prior install required)
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_freetype_2_4 revision b32452aa80dc owned by iuc (prior install required)
Repository package_libpng_1_6_7 revision 588666932a32 owned by iuc (prior install required)
Repository package_tiff_4_0_3 revision 1e6bcf7a8a03 owned by iuc (prior install required)
Repository package_zlib_1_2_8 revision 411985b46ae8 owned by iuc (prior install required)
Repository package_imaging_1_1_7 revision d5f2627f4cfd owned by iuc (prior install required)
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_bzlib_1_0 revision af4887e1f595 owned by iuc (prior install required)
Repository package_zlib_1_2_8 revision 411985b46ae8 owned by iuc (prior install required)
Repository package_tiff_4_0_3 revision 1e6bcf7a8a03 owned by iuc (prior install required)
Repository package_freetype_2_4 revision b32452aa80dc owned by iuc (prior install required)
Repository package_zlib_1_2_8 revision 411985b46ae8 owned by iuc (prior install required)
Repository package_chemfp_1_1 revision cb2b38ca9d96 owned by iuc (prior install required)

Tool dependencies - repository tools require handling of these dependencies
Name Version Type
chemfp 1.1p1 package
matplotlib 1.2.1 package
numpy 1.7.1 package
openbabel 2.3.2 package
rdkit 2012_12_1 package
scipy 0.12.0 package

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
of molecular fingerprints 0.1 any
of molecular fingerprints 0.2 any
extract fingerprints from sdf files metadata 0.1.1 any
with different fingerprint types 0.2.0 any

Categories
Computational chemistry - Tools for use in computational chemistry