WORK IN PROGRESS | Services are in active development and are subject to change.


Built-in applications are optimized for the Charity Engine network and can be used without deploying them through Docker containers.

Some proprietary applications are also available but may be restricted to licensed users only. Contact us if you require a proprietary application for your work.

Autodock Vina

Application name: charityengine:vina 

Deployed version: 1.1.2 

Unsupported or overridden command line / config file options:

  • config
  • cpu
  • ligand
  • out
  • receptor

Input files:

  • Receptor structure
  • Ligand structure
  • Config file (optional)

Output file names:

  • out
  • stdout.log
  • stderr.log

BLAST+1

Several applications from BLAST+ package from National Center for Biotechnology Information (NCBI).

Blastp

Application name: charityengine:blastp 

Deployed version: 2.10.0 

Unsupported or overridden command line options:

  • --db
  • --out
  • --query

Input files:

  • Query in FASTA or other supported formats
  • First file of the database to search against
  • Second file of the database to search against (in case of multi-file databases)
  • Further files of the database to search against (in case of multi-file databases)

Output file names:

  • out

Blastn

In development. Contact us if you need this application for your work.

Post processing of results may be available.

Tblastn

In development. Contact us if you need this application for your work.


1 BLAST is a registered trademark of the National Library of Medicine.

Wolfram Engine2

Application name: charityengine:wolframengine (alternative: charityengine:mathematica )

In development. Contact us if you need this application for your work.

PROPRIETARY APP: additional runtime fees will be applied when using this software.  (See [resource])


2 Copyright Wolfram Research, Inc.

Execution Environments

Source code can be executed without the need for packaging into a container by using a named execution environment as the application.

Python

Application name: charityengine:python

In development. Contact us if you need this application for your work.


Note that any environment defined by a Docker image from Docker Hub or another container resource can be used as an execution environment.

  • No labels