20 results
- Go to itemFunctional groups are replaced with bioisosteres that are available in the literature. [Requires: Maestro]1
- Go to itemAutomate some rendering preparation and inspect structures in Maestro. Select residues interactively in Maestro and use this sele…0
- Go to itemExtract one monomer from each of the two multimers. Align the binding sites (via the 'Align Binding Sites' node) or the whole str…0
- Go to itemCreate libraries by substituting one or several attachments on a core structure with fragments from reagent compounds. Unique ide…0
- Go to itemThe Chemistry external tool nodes can be used to parse a log file with basic shell commands, run Shrodinger utilities or backends…0
- Go to itemOpens the Multiple Sequence Viewer panel to visualize sequences or edit an alignement. [Requires: Maestro]0
- Go to itemDisplay structure in PyMOL. Run PyMOL commands and save the modified structures. Raytrace views and save the images. [Requires: M…0
- Go to itemThe Chemistry external tool nodes can be used to parse a log file with basic shell commands, run Shrodinger utilities or backends…0
- Go to itemAutomate some rendering preparation and inspect structures in Maestro. Select residues interactively in Maestro and use this sele…0
- Go to itemRead and write structure files. Read a list of PDB files from a directory. [Requires: Maestro] See also: - Docking - Grid generat…0
- Go to itemCluster conformers based on Cartesian or torsional RMSD. [Requires: Maestro, ConfGen]0
- Go to itemThe Chemistry external tool nodes can be used to parse a log file with basic shell commands or run any command line utilities. Qu…0
- Go to itemRun semi-empirical NDDO quantum chemical optimization and generate surface properties [Requires: Maestro, LigPrep]0
- Go to itemThe Run maestro command node is used to alter the formal charge of some atoms defined by an ASL and for altering the structure re…0
- Go to itemEnsure unique molecule titles (using the KNIME RowID or the Schrödinger dedicated node). This is useful in the context of Canvas.…0
- Go to itemDisplay structure in PyMOL. Run PyMOL commands and save the modified structures. Raytrace views and save the images. [Requires: M…0