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).


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.

Input Ports

Table with at least one column that has a protein entry or molfile.

Output Ports

Table with an appended column containing the calculated result.

Popular Predecessors

Popular Successors


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