Introducing a scaling factor for directed docking #868
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Signed-off-by: cplett <82893466+cplett@users.noreply.github.com>
Albkat
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Sep 20, 2023
MtoLStoN
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Sep 21, 2023
gorges97
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Mar 27, 2024
* Introducing a scaling factor for directed docking Signed-off-by: cplett <82893466+cplett@users.noreply.github.com> * Typo --------- Signed-off-by: cplett <82893466+cplett@users.noreply.github.com> Co-authored-by: Marcel Stahn <70513124+MtoLStoN@users.noreply.github.com> Signed-off-by: Johannes Gorges <58849467+gorges97@users.noreply.github.com>
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The additional attractive/repulsive potential for the directed docking feature of the
aISSalgorithm can now be scaled.Therefore, the
scaling factor= <value>keyword of the$directedblock in the additional input file is used.