Proteax as_molfile

The chemical 2D structure that the supplied protein entry represents. The structure is represented in MDL molfile format (V2000 or V3000 depending on molecule size).

Options

Protein text or molfile

Protein entry in UniProt, PLN, GPMAW, FASTA, or MDL molfile format.

Molfile options

Controls molfile generation. Available options are 'expansion-mode=all|condensed|minimal residue-proxy-atom=<atom-symbol> proxy-atom-chain-maxlen=<integer> (>= 3) explicit-hydrogen-mask=<mask> x-proxy-atom=<atom-symbol>'. The default 'expansion-mode' is 'all'.

Result column name

Name of appended column with result.

Add error column

Adds a column with any error messages. The error column is always named like the output column plus " - error". If the error column is not added, all errors will be logged to the KNIME console instead.

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Workflows

• Peptide structure to sequence demoProteax
• Peptide structure to sequence demo - with Marvin nodesProteax

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