[openbabel-scripting] File format conversion

[Noel O'B. <no...@ca...>]

Happy New Year!

I am trying to read a PDB file into an OBMol with Python but without any
luck.

----------------------------
from openbabel import *
mymol = OBMol()
a = OBConversion()
a.SetInFormat("pdb")           # Also tried PDB
a.ReadFile(mymol,"1crn.pdb") # PDB file taken from the test file repository

# Segmentation Fault 
----------------------------

I am also having difficulty finding out (from within Python) what file
formats are supported. The following C++ code snippet is in the
documentation for OBConversion:
-----------------------------

bool GetNextFormat 
( 
Formatpos & 
itr, 


const char *& 
str, 


OBFormat *& 
pFormat

) 
[static]
  
Repeatedly called to recover available Formats. 

Returns the ID + the first line of
the description in str and a pointer
to the format in pFormat. If called
with str==NULL the first format is
returned; subsequent formats are
returned by calling with str!=NULL
and the previous value of itr
returns false, and str and pFormat
NULL, when there are no more
formats. Use like: 

        const char* str=NULL;
        Formatpos pos;
        while(OBConversion::GetNextFormat(pos,str,pFormat))
        {
                use str and pFormat
        }
-----------------------------

However, there is no openbabel.Formatpos. Is there any other way of
doing this?

Regards,
 Noel