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[Bkchem-user] pdb export


From: Fabien
Subject: [Bkchem-user] pdb export
Date: Tue, 6 Apr 2010 18:12:52 +0200

Hello,

I would like to know if a way to export to pdb files was forseen?

Also I wanted to see something in the code but when I tried to use tla (from Fedora) it gives me this:
$ tla register-archive http://bkchem.zirael.org/arch/2004
Failed to access file '.archive-version'
Could not determine archive format, guessing to be tla 1.0
Registering archive: address@hidden
$ tla get -A address@hidden bkchem-dist--devel bkchem-dev
Failed to access file '.archive-version'
Could not determine archive format, guessing to be tla 1.0
* from import revision: address@hidden/bkchem-dist--mainline--0.9.0--base-0
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
* patching for revision: address@hidden/bkchem-dist--devel--0.1.0--base-0
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
* patching for revision: address@hidden/bkchem-dist--devel--0.1.0--patch-1
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
* patching for revision: address@hidden/bkchem-dist--devel--0.1.0--patch-2
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
* patching for revision: address@hidden/bkchem-dist--devel--0.1.0--patch-3
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
* patching for revision: address@hidden/bkchem-dist--devel--0.1.0--patch-4
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
* making pristine copy
* tree version set address@hidden/bkchem-dist--devel--0.1.0
$ cd bkchem-dev
$ tla build-config distribution.arch
Failed to access file '.archive-version'
Could not determine archive format, guessing to be tla 1.0
tar: The --preserve option is deprecated, use --preserve-permissions --preserve-order instead
[Many Outputs]

Is this normal? I tried to see on the web but did not find many clues. I was still able to import everything I think.

I can speak of the things I have seen in the code of the version 0.14.0-1.pre1 that seems to be hardcoded links which I think should not be there. I did not find if it provoked some problems.

Here are the files:
bkchem/oasa/oasa/graph/graph.py:  def _read_file( self, name="/home/beda/oasa/oasa/mol.graph"):
doc/api/bkchem/molecule/molecule.html:flush_graph_to_file ( self,  name="/home/beda/oasa/oasa/mol.graph" )
bkchem/oasa/oasa/config.py:  inchi_binary_path = "/home/beda/bin/cInChI-1-102b"
bkchem/oasa/oasa/inchi.py:      print "  inchi:  ", generate_inchi( mol, fixed_hs=False, program="/home/beda/bin/stdinchi-1")
bkchem/oasa/oasa/inchi.py:    print generate_inchi_and_inchikey( mol, fixed_hs=False, program="/home/beda/bin/stdinchi-1")
bkchem/oasa/oasa/molecule.py:  def _read_file( self, name="/home/beda/oasa/oasa/mol.graph"):
bkchem/oasa/oasa/svg_out.py:  mol = molfile.file_to_mol( file( "/home/beda/bkchem/bkchem/untitled0.mol", "r"))
bkchem/molecule.py:  def flush_graph_to_file( self, name="/home/beda/oasa/oasa/mol.graph"):
dtd/cdml.xsd:<!DOCTYPE xsd:schema SYSTEM "/home/beda/xml/schema/schema.dtd" [

Fabien

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