SeeSAR Interactive GUI

Input Ports

Library: Input table with a molecule column in sdf or mol2 format.

SeeSAR Project

Output Ports

SeeSAR Project: The SeeSAR project file storing the status of SeeSAR as saved upon exit.
After having run this node, a tooltip on this port will indicate, whether a docking is defined or not. If a docking is present, it will show "(with defined docking)", which is necessary to use it as input for the FlexX docking node.

SeeSAR Molecules: The SeeSAR molecules of all (small) molecule related modes. If there are two tables in one mode, e.g. docking, only the result molecules will be exported.
The molecule names are used as row keys, together with a row index to avoid ambiguities. The original molecule name is exported in a separate column.
In order to map the molecules to the mode in SeeSAR, there is also a mode column, which indicates in plain text the mode source, e.g. "analyzer".

Note: You have to save the project in SeeSAR to retrieve the molecules at this output port.

Popular Predecessors

• SeeSAR Interactive GUI23 %
• Affinity Calculator (HYDE)11 %
• SeeSAR Project Generator9 %
• Row Filter9 %
• SeeSAR Project Generator8 %
• Docking (FlexX)7 %
• SeeSAR Project Reader7 %
• Assess Affinity with Hyde in SeeSAR6 %
• Generate 3D Coordinates4 %
• Loop End3 %
• 3D Coordinates Generator3 %
• Concatenate1 %
• String to Number1 %
• Chemical Space Searcher (FTrees)1 %
• Load Local PDB Files1 %
• Compute FlexS Alignments< 1 %
• Read PDB< 1 %
• PDB Reader< 1 %
• Delete Files (legacy)< 1 %
• SDF Reader< 1 %
• 3D Ensemble Conformator< 1 %
• Table Creator< 1 %
• Column Filter< 1 %
• Reference Row Filter< 1 %

Popular Successors

• SeeSAR Interactive GUI27 %
• Docking (FlexX)17 %
• Chemical Space Merger15 %
• Assess Affinity with Hyde in SeeSAR9 %
• SeeSAR Project Writer8 %
• Show all 13 recommendations