AWSEM ER

‘go_rnativeCACA.dat’, ‘go_rnativeCACB.dat’ and ‘go_rnativeCBCB.dat’ are three N-N matrix indicate the predicted distance (set to 99 if there is no constraint), N is the number of residues. Here is an example file. https://github.com/npschafer/openawsem/blob/92a93631b919d470a4d3d67dff63dd9fddfb373b/examples/1r69/go_rnativeCACA.dat Here is the script for convert from raptorX to this input. https://github.com/luwei0917/awsemmd_script/blob/17211a6ea9b084caa57ba473adc514320d1140fc/gremlin/RAPTORXtoRnative.ipynb And reference parameter used to convert probability to predicted distance. https://github.com/luwei0917/awsemmd_script/blob/17211a6ea9b084caa57ba473adc514320d1140fc/gremlin/CACAmediandist.dat