Show Posts
1
General discussions (Q&As) / PDB conversion
« on: May 29, 2017, 06:49:35 am »
Hi Xiangjun
I am having trouble with XYZ files converted to PDB format using OpenBabel, the XYZ files come from gaussian 09 optimised structures. Whenever I try using the converted PDB file with find_pair, I always get the message that there are no base pairs. The converted files open normally in viewers like avogadro, so I don't think there should be any issues from the conversion process. I see a similar topic was raised (Conversions, jterry0402) but not pursued. I have attached both the original and converted files.
I am having trouble with XYZ files converted to PDB format using OpenBabel, the XYZ files come from gaussian 09 optimised structures. Whenever I try using the converted PDB file with find_pair, I always get the message that there are no base pairs. The converted files open normally in viewers like avogadro, so I don't think there should be any issues from the conversion process. I see a similar topic was raised (Conversions, jterry0402) but not pursued. I have attached both the original and converted files.