Hi folks,

I've been using Molmol, but found significant issues when working with a non-standard structure. For example - I have a cyclic peptide with ornithine residue creating the cycle.

Molmol won't open PDB's with ornithine unless a residue definition is provided. I've never given any thought on how that can be done. Molmol does, however open XYZ files, albeit with a loss of residue information, which makes very difficult to perform selections.

Are there any good alternatives to MOLMOL for working with structure bundles? Can pymol do that?

Hi folks,

I've been using Molmol, but found significant issues when working with a non-standard structure. For example - I have a cyclic peptide with ornithine residue creating the cycle.

Molmol won't open PDB's with ornithine unless a residue definition is provided. I've never given any thought on how that can be done. Molmol does, however open XYZ files, albeit with a loss of residue information, which makes very difficult to perform selections.

Are there any good alternatives to MOLMOL for working with structure bundles? Can pymol do that?or anything else visualize bundles of custom molecules? (i.e. not built of standard protein/nucleic acid residues)

Hi folks,

I've been using Molmol, but found significant issues when working with a non-standard structure. For example - I have a cyclic peptide with ornithine residue creating the cycle.

Molmol won't open PDB's with ornithine unless a residue definition is provided. I've never given any thought on how that can be done. Molmol does, however open XYZ files, albeit with a loss of residue information, which makes it very difficult to perform selections.

Are there any good alternatives to MOLMOL for working with structure bundles? Can pymol or anything else visualize bundles of custom molecules? (i.e. not built of standard protein/nucleic acid residues)

Hi folks,

I've been using Molmol, but found significant issues when working with a non-standard structure. For example - I have a cyclic peptide with ornithine residue creating the cycle.

Molmol won't open PDB's with ornithine unless a residue definition is provided. I've never given any thought on how that can be done. Molmol does, however open XYZ files, albeit with a loss of residue information, which makes it very difficult to perform selections.

Are there any good alternatives to MOLMOL for working with structure bundles? Can pymol or anything else visualize bundles of custom molecules? (i.e. not built of standard protein/nucleic acid residues)

Hi folks,

I've been using Molmol, but found significant issues when working with a non-standard structure. For example - I have a cyclic peptide with ornithine residue creating the cycle.

Molmol won't open PDB's with ornithine unless a residue definition is provided. I've never given any thought on how that can be done. Molmol does, however open XYZ files, albeit with a loss of residue information, which makes it very difficult to perform selections.

Are there any good alternatives to MOLMOL for working with structure bundles? Can pymol or anything else visualize bundles of custom molecules? (i.e. not built of standard protein/nucleic acid residues)

edit: found out that pymol does display bundles of molecules, but they the individual molecules must be originally oriented the same way in the source pdb files, which could files (otherwise bundle looks completely disordered). That can be done, for example with by running average.inp XPLOR scriptscript.