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TODO List
Solvation Tools edited this page Jun 27, 2017
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Welcome to the SSTMap wiki!
To Do list:
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- Windows Compatibility *
- edit tutorial to require Python 2.7 and give instructions to set environment to 2.7 if using later version
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*warning for density
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Figure out which output files.
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Table for water properties at 300K (tip3p, tip4p, opc, spc, tip5p, tip4p-ew,etc... density, 1st shell neighbors, energy, h-bonds)
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input flag for water model will set density, 1st shell neighbors, h-bonds to correct parameters.
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*change input from ligand.pdb to center of box coordinates
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change hsa to calculate in the box.
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make h-bond angle and distance input parameters
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Start continuous integration (CI). 1.
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Link the divide the GIST box scripts for speed
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Anthony's box vmd code for SSTMap output
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Write the VMD Box interface to support SSTMap scripts