https://github.com/ccdc-opensource/pipeline-pilot
CCDC's CSD Pipeline Pilot Component Collection
https://github.com/ccdc-opensource/pipeline-pilot
Last synced: about 2 months ago
JSON representation
CCDC's CSD Pipeline Pilot Component Collection
- Host: GitHub
- URL: https://github.com/ccdc-opensource/pipeline-pilot
- Owner: ccdc-opensource
- License: other
- Created: 2025-06-12T13:31:33.000Z (9 months ago)
- Default Branch: main
- Last Pushed: 2025-12-16T22:53:05.000Z (3 months ago)
- Last Synced: 2025-12-20T13:20:45.306Z (3 months ago)
- Language: Python
- Size: 16.3 MB
- Stars: 1
- Watchers: 0
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: readme.md
- License: LICENSE
Awesome Lists containing this project
README
# CSD Pipeline Pilot Component Collection
## About the CSD Pipeline Pilot Component Collection
This component collection for Pipeline Pilot allows protocols to
integrate functionality from the Cambridge Structural Database
(CSD) Python API. This includes capabilities for CSD searching,
model validation, conformer generator and virtual screening. There
are also components to help in the integration of further Python
scripts which may use the API.
The integration works as follows:
- The components found in the CSD Pipeline Pilot (PP)
component collection create the necessary input files from the
incoming data, and from the parameters on those components.
- The components find the appropriate Python script in the
component collection; various python scripts are supplied.
- The Run Program on Server component runs the Python
executable, supplying the script and arguments for that script,
which produce the output.
- The components then read the file(s) generated by the script,
performing appropriate merges, joins, etc. to produce a stream
of data.
## System Requirements and Installation
The Pipeline Pilot server host must have installed:
- Pipeline Pilot server (version 19.1 or later).
- A 2022 or later release of the CSD, including required licenses.
- The Pipeline Pilot components run under operating systems including Windows Server 2019
and CentOS 7, although CentOS 8 and RHEL 7 and 8 are also
expected to work.
- The minimum specifications for the CSD Python API apply.
- On Linux, the user which the Pipeline Pilot server runs as must
have a home directory for the CSD licensing to function.
To use the Mercury Viewer or Hermes Viewer components, Mercury
and Hermes must be installed on the client. A free version of
Mercury can be downloaded from the
[CCDC website](https://www.ccdc.cam.ac.uk/solutions/software/free-mercury/).
## Licensing
The CSD Pipeline Pilot Component Collection is distributed under the
[CSD Python API Script Licence v2](https://www.ccdc.cam.ac.uk/script-licence-v2/).
## Documentation
The CSD Pipeline Pilot Component Collection [User Guide](pipeline-pilot-user-guide.pdf) as of
2024 is provided as a .pdf.
## Support
The Support team will provide limited support for the collection until April 2026.
## Acknowledgements
This collection was developed in partnership with Finia Consulting.
Finia Consulting was founded in 2013 and is a small software
consultancy, specialised in using the Pipeline Pilot platform to
develop complex protocols and components including custom
components developed using Java and C# and can also provide
custom and specialized training for the Pipeline Pilot platform. Finia
Consulting have customers in the life sciences, chemicals and
academic sectors.
Finia Consulting may be contacted at:
[Finia Consulting](http://www.finiaconsulting.com)