added pocket analysis data, for the record
added visualizations, for the record
removed temp files
added alascan results, for the record
added complex2dpocket.sh, for the record
added gitignore file
tested some sklearn svm stuff
svm ipynb and output figure for svm
script for getting FoldX score of surface residue
added labels csv, indicating labels from testMat of classifier1_full
removed fat logs from alanine scanning, to clear up space
added feature weight table between CVs, and also improved the ROC curve chart to compare different feature sets
updated the svm-new notebook
renamed trainMat file to its actual meaning - unboundMat
added boundMat, copied from testMat of classifier1_full
added get_ddg.sh script, that generates boundRes.ddg.txt, a table containing
alaScan results for all surface residues in the bound set
fixed some feature headers in boundMat.svmlight.txt
changed the y-vector of boundMat to reflect ddg>0, not distance.
experimenting with new clustering schemes, specifically Ward and DBSCAN, for clustering SVM results
added some text to svm-new, removed cruft, introduced LeaveOneLabelOut CV, to either learn or test all residues of the same PDB in the same context