AMBER Archive (2007)

Subject: Re: AMBER: About TER records

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 23 2007 - 12:35:46 CST

On Fri, Nov 23, 2007, Francesco Pietra wrote:
>
> If I remember correctly, recent pdb rules tell that it is technically
> correct to remove the TERs between HETATM residues because HETATM residues
> in PDB format are not connected to each other unless there are CONECT
> records that say the contrary.

As far as I know, Amber's LEaP does not make the above distinction between
ATOM and HETATM records. Patches are welcome, but I don't think it will be
easy to implement this logic. I'm also cc-ing this to Wei Zhang, so that he
can think about what sleap does.

...dac

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