recipe align-it/1.0.3

Align-it is a tool to align molecules according to their pharmacophores. A pharmacophore is an abstract concept based on the specific interactions observed in drug-receptor interactions: hydrogen bonding, charge transfer, electrostatic and hydrophobic interactions.

Homepage

http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/align-it/1.0.4/align-it.html

License

LGPL

Recipe

/align-it/1.0.3/meta.yaml

package align_it

(downloads) docker_align_it

Versions

1.0.3-6, 1.0.3-5, 1.0.3-4, 1.0.3-3, 1.0.3-2, 1.0.3-1, 1.0.3-0

Depends
  • libgcc-ng >=7.3.0

  • libstdcxx-ng >=7.3.0

  • openbabel 2.4.1

  • zlib >=1.2.11,<1.3.0a0

Required By

Installation

With an activated Bioconda channel (see 2. Set up channels), install with:

conda install align_it

and update with:

conda update align_it

or use the docker container:

docker pull quay.io/biocontainers/align_it:<tag>

(see align_it/tags for valid values for <tag>)