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TODO List

Solvation Tools edited this page Jun 27, 2017 · 7 revisions

Welcome to the SSTMap wiki!

To Do list:

    • Windows Compatibility *
    • edit tutorial to require Python 2.7 and give instructions to set environment to 2.7 if using later version
  1. *warning for density

  2. Figure out which output files.

  3. Table for water properties at 300K (tip3p, tip4p, opc, spc, tip5p, tip4p-ew,etc... density, 1st shell neighbors, energy, h-bonds)

  4. input flag for water model will set density, 1st shell neighbors, h-bonds to correct parameters.

  5. *change input from ligand.pdb to center of box coordinates

  6. change hsa to calculate in the box.

  7. make h-bond angle and distance input parameters

  8. Start continuous integration (CI). 1.

  9. Link the divide the GIST box scripts for speed

  10. Anthony's box vmd code for SSTMap output

  11. Write the VMD Box interface to support SSTMap scripts

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