1. 25 Oct, 2023 1 commit
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  21. 16 Jun, 2023 1 commit
    • Several small changes for improving installation. · 8d766d4d
      There is not any algorithmic changes in this version.
      However, I made the following changes to make Python
      and Docker installations better:
      1-I changed base ubuntu from 20.04 to 22.04.
      2-dssp 4.0 in Ubuntu 22.04 have a shitty requirement
       of CRYST record in the pdb file. Therefore, I manually
       installed dssp 3.
      3-I needed at least Python 3.9 for importlib.resources
        and I made the required changes both in setup.py and
        Dockerfile for that.
      Mustafa Tekpinar authored
  22. 13 Jun, 2023 1 commit
  23. 11 Jun, 2023 1 commit
  24. 08 Jun, 2023 1 commit
    • Removed ESGEMME_PATH dependecy for R files. · 0c7fe1f3
      Since esgemme calls two R scripts, namely
      pred.R and computePred.R, to do the calculations,
      I added them as package resource. They are copied
      to the folder where ESGEMME is initiated. I'm
      trying to remove this kind of path dependencies
      to make the program automatically installable and
      portable.
      Mustafa Tekpinar authored
  25. 07 Jun, 2023 1 commit