AMBER Archive (2005)

Subject: Re: AMBER: An atom name with 4 characters is not compatible with Leap ?

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 22 2005 - 12:27:31 CDT

On Fri, Jul 22, 2005, Tim Meyer wrote:
>
> the problem comes from the pdb format. columns 13,14,15,16 contain atom
> name, however 14 is supposed to contain the element character so CL29
> doesn't fit.

This is not quite correct. The pdb standard says the the atomic symbol should
be right justified in columns 13 and 14. So "CL29" would fit fine in columns
13-16. At I indicated in an earlier mail, I think the problem is somewhere
else, and just appears to be related to four-character names.

...dac

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