[Biojava-l] how to cancel download chemcomp when parser a PDB file

Steve Darnell darnells at dnastar.com
Thu Dec 16 16:26:51 UTC 2010


The SeqRes to Atom record alignment forces the use of chemical
components to translate non-standard residues to their closest standard
counterpart for the sequence alignment.  I have to disable
setLoadChemCompInfo and setAlignSeqRes when I don't want to download
chemical component files from RCSB when parsing a PDB file.

Regards,
Steve

-----Original Message-----
From: biojava-l-bounces at lists.open-bio.org
[mailto:biojava-l-bounces at lists.open-bio.org] On Behalf Of Fico
Sent: Wednesday, December 15, 2010 8:46 PM
To: Biojava-l at lists.open-bio.org
Subject: [Biojava-l] how to cancel download chemcomp when parser a PDB
file

Hi, dear all:

I use biojava3 beta1 to parse the PDB files recently, my program is:

            PDBFileReader pdbreader = new PDBFileReader();
            pdbreader.setAutoFetch(false);
            pdbreader.setPath(pdbDirPath);

            FileParsingParameters params = new FileParsingParameters();
            params.setLoadChemCompInfo(*false*);
            params.setHeaderOnly(*false*);
            params.setAlignSeqRes(*true*);
            params.setParseSecStruc(*false*);
            pdbreader.setFileParsingParameters(params);

            Structure structure = null;
            try {
                structure = pdbreader.getStructure(pdbDirPath + "\\" +
file);
            } catch (IOException e) {
                e.printStackTrace();
            }

when I execute this program, it will download something such as:

*creating directory D:\MyWorkspace\TestFiles\pdbFiles\chemcomp
downloading http://www.rcsb.org/pdb/files/ligand/35G.cif
downloading http://www.rcsb.org/pdb/files/ligand/GDP.cif*

but I do not want to lownload those stuff, How can I cancel it?
Thanks.
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