Change units in electrostatics script to nm #36
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added 2 commits
January 17, 2025 14:23
This also changes the created surface somewhat, because the msms resolution is not equivalent. Overall, the results are similar and the created surface looks somewhat smoother.
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Until now, the units were inconsistent: The hydrophobicity script uses nm as input, while the electrostatics script uses Angstrom. This changes the electrostatics script to also use nm. This means that all numerical outputs are changed by 10/100/1000, depending on the unit.
This also changes the created surfaces somewhat, because the msms resolution is not equivalent. Overall, the results are similar and the created surface looks somewhat smoother.