mxproc
MX Automated Data Processing Pipeline
This project is the successor to the AutoProcess pipeline. The goal is to support not just XDS processing as AutoProcess did, but also DIALS eventually.
A user-friendly graphical interface for interactive use is also planned for the future.
Installation
You can install mxproc via pip:
pip install mxproc
Alternatively, if you are using Poetry:
poetry add mxproc
Available Scripts
Once installed, the following command-line scripts are available for use in your data processing pipelines:
auto.init: Initialize data processingauto.xds: Alias for "xds_par" on a cluster environment, see command line argumentsauto.index: Run auto-indexingauto.spots: Find spots for indexingauto.integrate: Run integrationauto.process: Run complete data processing [start with this command]auto.scale: Run scalingauto.strategy: Determine data collection strategyauto.symmetry: Determine crystal symmetry
Dependencies
- Python >= 3.10
mxio,parsefire,matplotlib,numpy,pyyaml,tqdm,pandas,prettytable,vg,scipy
License
This project is licensed under the MIT License. See the LICENSE file for details.
1 maintainer
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