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Formatting of Analysis/README.md
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@bbucior
bbucior committed Feb 9, 2019
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Expand Up @@ -7,8 +7,8 @@ Analysis scripts to generate figures and stats for the manuscript

1. Copy relevant MOF databases (GA hMOFs, ToBaCCo, and CoRE MOF 2019) to the Data/ directory.
2. Generate MOFid's and validation data on an HPC cluster, e.g. [Northwestern quest](https://www.it.northwestern.edu/research/user-services/quest/acknowledgment.html).
a. `Scripts/HPC/run_submit_all.sh` and wait for jobs to finish.
b. `Scripts/HPC/run_post_submit_all.sh` to collect results and run the validator.
1. `Scripts/HPC/run_submit_all.sh` and wait for jobs to finish.
2. `Scripts/HPC/run_post_submit_all.sh` to collect results and run the validator.
3. TODO: probably something with `Python/convert_smi_to_tables.py`
4. TODO: scripts in this directory for analysis

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