Initialize Analysis/ directory

Separating general user tools from analysis scripts (examples) for the paper
snurr-group · Feb 9, 2019 · a55840d · a55840d
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diff --git a/Analysis/.gitignore b/Analysis/.gitignore
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+Figures/
+
diff --git a/R/parse_json_results.R → Analysis/R-Utilities/parse_json_results.R b/R/parse_json_results.R → Analysis/R-Utilities/parse_json_results.R
diff --git a/R/read_named_tables.R → Analysis/R-Utilities/read_named_tables.R b/R/read_named_tables.R → Analysis/R-Utilities/read_named_tables.R
diff --git a/Analysis/README.txt b/Analysis/README.txt
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+# Analysis for MOFid paper
+
+Analysis scripts to generate figures and stats for the manuscript
+
+
+## Steps to reproduce figures
+
+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.
+3. TODO: probably something with `Python/convert_smi_to_tables.py`
+4. TODO: scripts in this directory for analysis
+
+
+## Other comments
+
+Analysis scripts will live here.  More general-purpose utilities are in the /bin, /Python, and /Scripts directories.
+