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AG-Peter / encodermap

python library for dimensionality reduction
https://ag-peter.github.io/encodermap/
GNU Lesser General Public License v3.0
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Locating reference structure in histogram2D #9

Closed Monte95 closed 3 years ago

Monte95 commented 3 years ago

Hello again @TobiasLe! I am trying to retrieve the position of the reference protein structure specified in structure_path in the 2D histogram ( hist, xedges, yedges = np.histogram2d(projected[:, 0], projected[:, 1], bins=100) ) but I cannot figure out how to do it. Is there a way to track the reference structure during the encoding part of Encodermap, directly into projected? Thank you again!

TobiasLe commented 3 years ago

Hi, I'm not sure I understand your question, but I will try to answer anyway. The points in the projected array are in the same order as they are in the input data. E.g. if you want to know where the fifth structure in your input data is projected to, you simply need to extract the fifth point in the projected array.