[Open Babel] MMFF94 and RNA Quadruplexes

Hi! I am trying to run obenergy on the TERRA Quadruplex (PDB Code 3IBK) and I am having trouble getting MMFF94 force field to calculate the energy. I am not sure what is causing this problem (I have only basic knowledge in computational chemistry) and I was wondering if any of you can help me out.

Re: [Open Babel] MMFF94 and RNA Quadruplexes

Hello, Hi! I am trying to run obenergy on the TERRA Quadruplex (PDB Code 3IBK) and I am having trouble getting MMFF94 force field to calculate the energy. I am not sure what is causing this problem (I have only basic knowledge in computational chemistry) and I was wondering if any of you can

[Open Babel] Fastsearch format (fs) stored in a chemical structure database

Hello, i'm reading about substructure and similarity searches... http://openbabel.org/docs/dev/Fingerprints/fingerprints.html On larger datasets it is necessary to first build a fastsearch index. This is a new file that stores a database of fingerprints for the files indexed. You will still need

Re: [Open Babel] MMFF94 and RNA Quadruplexes

Hi! I am trying to run obenergy on the TERRA Quadruplex (PDB Code 3IBK) and I am having trouble getting MMFF94 force field to calculate the energy. I am not sure what is causing this problem (I have only basic knowledge in computational chemistry) and I was wondering if any of you can help me