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choderalab / mcce-charges

generating ligand charges
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Update Excel spreadsheet? #57

Open jchodera opened 7 years ago

jchodera commented 7 years ago

@SalahBioPhysics : Can you try updating the latest XLSX file in the repo?

https://github.com/SalahBioPhysics/mcce-charges/blob/6cbde192ea0f457e504a4016eb57b3b3d36194ed/mcce_runs/Data_Feb_2017/mcce_extensive_sampling_Feb2017.xlsx

For some reason, the version that was checked in seems to have been corrupted.

SalahBioPhysics commented 7 years ago

Thanks for letting me know, I just merged a new update (https://github.com/choderalab/mcce-charges/tree/master/mcce_runs/Data_Feb_2017) And just an fyi, I started to read more literature on kinase and soon I'll start writing the paper.