Binary package “autodock-getdata” in ubuntu focal
instructions for getData to collect compounds
This package provides instructions for getData to retrieve
descriptions for sets of molecular compounds that can be used
directly as input for autodock. The data is not provided
direclty by this package. Only the instructions for the download
are maintained here.
.
The FightAids@Home project of the World Community Grid publicly
provides the input sets of their runs. The original structures
come from the ZINC database and have been processed from the
mol2 to pdbqt format by the Scripps institute:
* asinex
* chembridge_
* drugbank_
* drugbank_smallmol
* fda_approved
* human_metabolom
* otava
* zinc_natural_
.
Please cite the ZINC database when using that data.
Source package
Published versions
- autodock-getdata 4.2.6-7build1 in amd64 (Proposed)
- autodock-getdata 4.2.6-7build1 in amd64 (Release)
- autodock-getdata 4.2.6-7build1 in arm64 (Proposed)
- autodock-getdata 4.2.6-7build1 in arm64 (Release)
- autodock-getdata 4.2.6-7build1 in armhf (Proposed)
- autodock-getdata 4.2.6-7build1 in armhf (Release)
- autodock-getdata 4.2.6-7build1 in i386 (Proposed)
- autodock-getdata 4.2.6-7build1 in i386 (Release)
- autodock-getdata 4.2.6-7build1 in ppc64el (Proposed)
- autodock-getdata 4.2.6-7build1 in ppc64el (Release)
- autodock-getdata 4.2.6-7build1 in riscv64 (Release)
- autodock-getdata 4.2.6-7build1 in s390x (Proposed)
- autodock-getdata 4.2.6-7build1 in s390x (Release)