This option allows the user to compute specific ProtDCal descriptors using the Index Definition Language(IDL) file. IDL is represented by a file with the extension ".idl" with one descriptors name per line, an example could be:
Mw_NO_ALA_N1The output generated using IDL interface will be a Prot file containing only the descriptor described in the IDL file. This option is executed only for CLI mode, using the next parameters:
i | [/path/to/input/folder] for specify the input folder for calculations, by default this option use the Datasets folder in ProtDCal workspace. |
f | specify the dataset format (PDB-> pdb or FASTA-> fasta). |
x | [/path/to/projects/folder] for specify a file containing a list of specific descriptors, each descriptor must be a line. For use this option is necesary indicate to ProtDCal additional parameters(input and output directory, and the format of dataset(PDB or FASTA)). |
In addition the parameters "o" for output directory is necessary. An example for use this command will be:
java -jar ProtDCal.jar -i Datasets/Fasta_Protein_Format/Stability -f fasta -x Projects -o Output/example