Added msmbuilder pyemma dihedral translation tica plotting - #7
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sonyahanson wants to merge 5 commits into
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sonyahanson wants to merge 5 commits into
sonyahanson wants to merge 5 commits into
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There's still an issue with the eigenvalues generated from this... |
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Want to plot tics 3 and 4 from this, this actually doesn't look so bad (AKA soo different from the msmbuilder tica projection, though still different). Tic 3 has one of our serines in it! tIC3: DIH: SIN(ASN 153 C 2428 - SER 154 N 2430 - SER 154 CA 2432 - SER 154 C 2439) |
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Also, need to be outputting more so that I stop wasting time recalculating these things. |
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Does not correlate. Wondering if there's something wrong with how we're plotting tics for pyemma?