13 results
- Go to itemMerge multiple 2D/3D Mol/SDF file to 1 3D SDF 3D Convertor with CDK or MMFF Geometry Optimizations Input: Define a directory or f…2
- Go to itemThis workflow snippet demonstrates how to query PDB using the PDB nodes from the Vernalis extension and to visualized the results…1
- Go to itemView to display 3D depictions of molecular structures. The input table needs to contain a column containing either CDK or SDF val…1
- Go to itemThis exercise focuses on learning about the relations among the data of prices of the houses in Boston. Steps: Read excel file wi…0
- Go to itemThis exercise focuses on learning about the relations among the data of prices of the houses in Boston. Steps: Read excel file wi…0
- Go to itemThis example workflow demonstrate how to add conformers and create a 3D visualization of a list of molecules. The 3D Molecule Vie…0
- Go to itemThis exercise focuses on learning about the relations among the data of prices of the houses in Boston. Steps: Read excel file wi…0
- Go to itemThis exercise focuses on learning about the relations among the data of prices of the houses in Boston. Steps: Read excel file wi…0
- Go to itemAs a prerequisite for the calculation of 3D coordinates, all hydrogens are converted to explicit hydrogens for template recogniti…0
- Go to itemThis node implements a fast descriptor based 3D similarity measure described by Ballester et al ([Bellester, P.J. and Richards, W…0
- Go to itemThis node implements a fast descriptor based 3D similarity measure described by Ballester et al ([Bellester, P.J. and Richards, W…0
- Go to itemCreates a new columns containing the RMSD distances between different conformers (required 3D coordinates). The computations are …0
- Go to itemCreates new columns holding the calculated WHIM molecular properties computed for each fully configured 3D structure. The computa…0