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posted Jan 28 '10 at 15:10

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

How to display NMR structure of molecule with non-standard residues?

... solving a structure of a cyclic peptide with Ornithine residue, where Orn side-chain participates in an amide bond.

Normally I use Molmol to calculate fitted structure ensembles, but in this case Ornithine is a non-standard residue and is not part of Molmol residue library.

Could anyone give an advice - what software could open pdb's or equivalent data formats of arbitrary molecules and fit structures? Is it possible with Molmol?

Will be super thankful for your advice.

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posted Jan 29 '10 at 11:47

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

How to display NMR structure of molecule with non-standard residues?

... solving a structure of a cyclic peptide with Ornithine residue, where Orn side-chain participates in an amide bond.

Normally I use Molmol to calculate fitted structure ensembles, but in this case Ornithine is a non-standard residue and is not part of Molmol residue library.library the the program cannot display it.

Could anyone give an advice - what software could open pdb's or equivalent data formats of arbitrary molecules and fit structures? Is it possible with Molmol?

Will be super thankful for your advice.

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