From some journal i collect some XRD and NMR data of monomer. I want to build a fiber of different polymer chain. For MD simulation in GROMACS. As i am a newbie. I want to know what is the procedure and tool available to build the structure file in PDB format.
Dear Reza
I think in your case Avogadro software is the best option. https://sourceforge.net/projects/avogadro/
Dear Reza
I think in your case Hyper Chem software you can use. There are some oprions to build long chain molecules and to run easy MD
You can try Pymol (builder tool) and or Coot for building new chain.
If the crystallized structure having more than one chains but they have shown only one chain in that case you can use .pdb file remark 350 where they have mention the Bio-metric transformation to build rest of the chains. By using VMD tool tk-console you can build all the remaining chain.
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