Total results: 10
See the CTFile formats documentation for more details about the RDF format. Typically RDF files are generated by exporting data from an ISIS/Host database using ...
Merge distance of atoms in C-C bond length units. 0.1. molFormat, Default file format: mol , csmol , smiles , cxsmiles , cml , pdb , pov , sybyl , or xyz . mol.
ECFPs are circular topological fingerprints designed for molecular characterization, similarity searching, and structure-activity modeling.
FASTA file format · Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file formats · Markush DARC format - ...
October 14th, 2024: Marvin 24.3.1. Bugfixes. Files (and text) starting with the word "formula" were falsely recognized as a PDB file by the format recognition ...
Typically RDF files are generated by exporting data from an ISIS/Host database using a Hview which converts the relational data to a hierarchical representation ...
FASTA file format · Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file formats · Markush DARC format - ...
Import. Supported features. [ Atom properties: ](formats_features-imported-from-cdx-and-cdxml-files.md# ...
From files having doc, docx, ppt, pptx, xls, xls ... All bonds either defined by CONECT records or generated by PDB import are represented as ANY bonds.
This script searches a directory recursively and looks for CDX files. It then extracts the invidual molecules from the file and loads them into the structure ...