Re: [Open Babel] Open Babel Error in reading PDB file

2009-11-20 Thread Geoffrey Hutchison
On Nov 20, 2009, at 1:00 PM, Andrew Dalke wrote: > But OB only generates a warning for them, which seems acceptable. > (Though it would be nice to also know the line number of the problem.) I think we can arrange line numbers in the warning. :-) > Also, your suggestion "It would be more appli

Re: [Open Babel] Open Babel Error in reading PDB file

2009-11-20 Thread Andrew Dalke
On Nov 20, 2009, at 12:14 AM, Sheng-Hung Wang wrote: > The error messages are showing below: > -- > WARNING: Problems reading a PDB file > Problems reading a HETATM or ATOM record. > According to the PDB specification, > columns 77-78 should contain the e

[Open Babel] Open Babel Error in reading PDB file

2009-11-20 Thread Sheng-Hung Wang
The error messages are showing below: -- WARNING: Problems reading a PDB file Problems reading a HETATM or ATOM record. According to the PDB specification, columns 77-78 should contain the element symbol of an atom. ---