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Interaction surface

Adds the binding pocket interaction surface generated with SiteMap.

[32391] 21.3.0
See details in https://kni.me/w/RTAj4YehKE4nNegX

Changelog:21.3.0 Requires 21-3 version of the protocol21.1.2 Surface coloring controlled from the Admin page Input: Pose viewer or ligand-receptor complex 3D column, from a docking for instanceOutput column(s):- 3D structure and surfaceParameters:- Surface coloring (green or proximity)eg -SurfaceColor green LiveReportColumn from the LiveReportselected in the Parametrized model panelLiveDesignUsing the "1 column input"generic protocolDocked poses outputIterationSitemap surface LigandLigands and proteins 32391DisabledOutputCommand Surface coloring%input%preparationInspect the surfaceCSV Reader(deprecated) CredentialsConfiguration Upload asLiveDesign Model Group Loop Start Sitemap surface Cross Joiner Loop End Row Filter Read structures Test locally locally theLiveDesign KNIME model Testing Table Viewer Table Viewer Upload asLiveDesign Protocol CASE SwitchData (Start) StringConfiguration Output columns Run Maestro Changelog:21.3.0 Requires 21-3 version of the protocol21.1.2 Surface coloring controlled from the Admin page Input: Pose viewer or ligand-receptor complex 3D column, from a docking for instanceOutput column(s):- 3D structure and surfaceParameters:- Surface coloring (green or proximity)eg -SurfaceColor green LiveReportColumn from the LiveReportselected in the Parametrized model panelLiveDesignUsing the "1 column input"generic protocolDocked poses outputIterationSitemap surface LigandLigands and proteins 32391DisabledOutputCommand Surface coloring%input%preparationInspect the surfaceCSV Reader(deprecated) CredentialsConfiguration Upload asLiveDesign Model Group Loop Start Sitemap surface Cross Joiner Loop End Row Filter Read structures Test locally locally theLiveDesign KNIME model Testing Table Viewer Table Viewer Upload asLiveDesign Protocol CASE SwitchData (Start) StringConfiguration Output columns Run Maestro

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: jcmozzic
Created at: 2020-01-31
On NodePit since: 2021-05-28
Last update: 2024-04-30
Created with KNIME version: v4.4.1
Tags: LiveDesignSchrodingerSitemap

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