You can also edit a molecule that is drawn or loaded into the tool to add or remove atoms or groups of atoms and then use the new molecule to query the PDB archive. Both chemical descriptors (SMILES and InChI) of the molecule drawn will be automatically generated and will be available to use as a query. In doing so you can use the graphical interface to draw a molecule of interest or load either the SMILES or InChI descriptors. You can search the PDB archive for a specific ligand or similar ligands based on the 2D chemical drawing of a molecule. The user can then use the descriptor to query the PDB archive for the specific ligand molecule or similar ones. The tool allows users to edit the 2D chemical drawing as needed to automatically generate new chemical descriptors. The Chemical Sketch Tool uses Marvin JS, a web-based chemical sketcher developed by ChemAxon, to quickly and conveniently draw 2D chemical structures from scratch, chemical descriptors (SMILES or InChI), or ligand codes in the wwPDB Chemical Component Dictionary ( CCD). Search for molecular definitions that are substructures of a modified version of CCD ID FMN Introduction What does the Chemical Sketch Tool do? Biologically Interesting Molecule Reference Dictionary (BIRD).
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