Total results: 27
Protein Data Bank (PDB) file format · Standard PDB residues · PDB import and export options · Tripos SYBYL MOL and MOL2 formats · Tripos Mol2 format · Tripos ...
ECFPs are circular topological fingerprints designed for molecular characterization, similarity searching, and structure-activity modeling.
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 ...
cxcalc performs plugin calculations in a uniform way: it processes general input, output parameters and SDF file tag names and also plugin specific parameters.
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 ...
File Formats · Basic export options · Compression and Encoding · Document ... FASTA file format · Protein Data Bank (PDB) file format · Tripos SYBYL MOL and ...
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.
Import. Supported features. [ Atom properties: ](formats_features-imported-from-cdx-and-cdxml-files.md# ...
FASTA file format · Protein Data Bank (PDB) file format · Tripos SYBYL MOL and MOL2 formats · XYZ format · Gaussian related file formats · Markush DARC format - ...
The Export to Image option in the File menu allows you to save an image of the molecule. Images exported in JPEG, PNG, and SVG formats can be re-opened in ...