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Protein descriptors

Calculates protein descriptors based on protein structure and sequence (Protein descriptors) or based on protein sequence only (Sequence Descriptors).

Input(s):
Protein structure in .mae file format for structure and sequence based descriptors
or
Protein sequence in .fasta file format for only sequence based descriptors.

Output(s):
- List of the calculated descriptors





Protein descriptors:Calculates protein descriptors based on protein structure and sequence (Protein descriptors) or based on protein sequence only(Sequence Descriptors).Input(s): Protein structure in .mae file format for structure and sequence based descriptors or Protein sequence in .fasta file format for onlysequence based descriptors.Output(s):List of the calculated descriptorscalc_protein_descriptors.py Script options Script optionscalc_sequence_descriptors.pySequence descriptors-FROM psp All properties Properties only Name at topName remove duplicatename entry %file% process structures-treat disulfides-delete watersProtein descriptors-FROM pspProperties only remove duplicatename entry Name at topNameAll properties %file% Get Help Table Viewer Table Viewer Get Help ChemistryExternal Tool Excel_to_fasta Excel Reader (XLS)(deprecated) Table Viewer Transpose Column Filter Column Resorter RowID Postprocessing Column Filter CSV Writer Get PDB Molecule-to-MAE Protein PreparationWizard ChemistryExternal Tool Column Filter Postprocessing Column Filter Column Resorter RowID Table Viewer CSV Writer Transpose Protein descriptors:Calculates protein descriptors based on protein structure and sequence (Protein descriptors) or based on protein sequence only(Sequence Descriptors).Input(s): Protein structure in .mae file format for structure and sequence based descriptors or Protein sequence in .fasta file format for onlysequence based descriptors.Output(s):List of the calculated descriptorscalc_protein_descriptors.py Script options Script optionscalc_sequence_descriptors.pySequence descriptors-FROM psp All properties Properties only Name at topName remove duplicatename entry %file% process structures-treat disulfides-delete watersProtein descriptors-FROM pspProperties only remove duplicatename entry Name at topNameAll properties %file% Get Help Table Viewer Table Viewer Get Help ChemistryExternal Tool Excel_to_fasta Excel Reader (XLS)(deprecated) Table Viewer Transpose Column Filter Column Resorter RowID Postprocessing Column Filter CSV Writer Get PDB Molecule-to-MAE Protein PreparationWizard ChemistryExternal Tool Column Filter Postprocessing Column Filter Column Resorter RowID Table Viewer CSV Writer Transpose

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Created by: kuppurar
Created at: 2017-10-16
On NodePit since: 2021-09-28
Last update: 2025-01-05
Created with KNIME version: v4.3.2
Tags: ProteinBioluminate

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