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Convert Maestro to SD format
Backend implementation
utilities/structconvertstructconvert is used to convert Maestro format into SD output
Options
Popular Predecessors
- Molecule Reader (to MAE)13 %
- Joiner5 %
- Extract Properties4 %
- Row Filter4 %
- Fragments from Molecules3 %
- Molecule-to-MAE3 %
- LigPrep3 %
- ConfGen3 %
- Delete MAE Properties3 %
- MAE-to-SD3 %
- Maestro Molecular Properties3 %
- Ligand Alignment3 %
- Concatenate3 %
Neutralizer2 %- Reaction Based Enumeration2 %
- Glide Ligand Docking2 %
- Glide Sort Results2 %
- SDF Reader2 %
- Compare Ligand Sets2 %
Glide Ligand Docking2 %- Unique Title Check2 %
- Molecule Properties2 %
- Epik Classic1 %
- PDB Reader1 %
Protein Preparation Wizard1 %- PoseViewer-to-Complexes1 %
- Column Filter1 %
Stereoizer1 %- GroupBy1 %
- Maximum Common Substructure Search< 1 %
- MAE-to-Smiles< 1 %
- Set Molecule Title< 1 %
- Smiles Reader< 1 %
- Advanced MolConverter< 1 %
Generic Loop Start< 1 %- Column Resorter< 1 %
- Row Splitter< 1 %
Joiner< 1 %Read Maestro< 1 %- Conformer Cluster< 1 %
Desalter< 1 %- Fragment Joiner< 1 %
Ionizer< 1 %- Ligfilter< 1 %
- Ungroup MAE< 1 %
- Set MAE Properties< 1 %
- MacroModel Conformational Search< 1 %
- MacroModel Minimization< 1 %
- MacroModel Single Point Energy< 1 %
- QikProp< 1 %
- Split by Structure< 1 %
- Generate Unique Smiles< 1 %
- MolConverter< 1 %
Loop End< 1 %Column Rename< 1 %- Sorter< 1 %
- Jaguar Single Point Energy< 1 %
- Pose Filter< 1 %
- RMSD< 1 %
- SiteMap< 1 %
Tautomerizer< 1 %- Create File Name (legacy)< 1 %
- List Files/Folders< 1 %
- RDKit Generate Coords< 1 %
Views
- Stdout/err
- Stdout/err
Workflows
Alignment and rescoringKNIME Hub- AutoQSARKNIME Hub
- AutoQSARKNIME Hub
- AutoQSAR - on KNIME serverKNIME Hub
- AutoQSAR - on ServerKNIME Hub
- Show all 13 workflows
Links
- No links available
Developers
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