[gmx-users] vdw radii in pdb

[Anton Feenstra]

Frauke Meyer wrote:
> 
> Hi all,
> 
> is their a way to write out coordinates in pdb format with vdw radii in
> the last column?

editconf can put the atom radius in either the B-factor (-mead) or
the occupancy fields (-grasp) of the pdb format.
radii are taken from vwdradii.dat (in $GMXLIB, or <gmxpath>/share/top).


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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