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Connect records in PDB files
#888 02/04/04 11:40 AM
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tjaart Offline OP
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Hi

Can CHARMM write out connect records to a PDB file (In addition to the coordinates)?

Thanks!!


Tjaart de Beer
Re: Connect records in PDB files
tjaart #889 02/04/04 02:20 PM
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I believe the PSF gives such information.You can always print or write the IC's. See intcor.doc for further details.

Re: Connect records in PDB files
tjaart #890 02/08/04 12:23 AM
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rmv Online Content
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No, WRITE PDB only writes out ATOM records (even for water); the PDB reading and writing routines in CHARMM could use an overhaul.


Rick Venable
computational chemist


Moderated by  John Legato, lennart 

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