Compbio middleware: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
|||
| Line 11: | Line 11: | ||
* [[rdkit]] - recommended and soon to be essential for the DOCK 3.7 pipeline. | * [[rdkit]] - recommended and soon to be essential for the DOCK 3.7 pipeline. | ||
* [[OGS/GE]] - queuing system. OpenGridEngine is included in [[Centos]] and you do not need to install it separately. | * [[OGS/GE]] - queuing system. OpenGridEngine is included in [[Centos]] and you do not need to install it separately. | ||
Set up psql/rdkit from scratch | |||
Psql. | |||
rdkit. | |||
Drupal. | |||
Chemaxon. | |||
mysql. | |||
openbabel. | |||
wiki | |||
[[Category:Internal]] | [[Category:Internal]] | ||
[[Category:Sysadmin]] | [[Category:Sysadmin]] | ||
[[Category:Docking]] | [[Category:Docking]] | ||
Revision as of 08:01, 13 March 2014
We define middleware here to mean whatever comes between your application and the operating system. If you have a better name for it, tell us.
Essential
- Python - 2.7 series
- AMSOL - atomic charge and desolvation penalty calculations required for database building.
- Omega by OpenEye - conformation generation required for database building.
- Matplotlib - currently only needed for analysis plots (enrichment)
- MSMS - currently only needed by be_blasti
Recommended
- rdkit - recommended and soon to be essential for the DOCK 3.7 pipeline.
- OGS/GE - queuing system. OpenGridEngine is included in Centos and you do not need to install it separately.
Set up psql/rdkit from scratch
Psql.
rdkit.
Drupal.
Chemaxon.
mysql.
openbabel.
wiki