CHARMM Development Project
Posted By: tjaart Connect records in PDB files - 02/04/04 11:40 AM
Hi

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

Thanks!!
Posted By: jb007 Re: Connect records in PDB files - 02/04/04 02:20 PM
I believe the PSF gives such information.You can always print or write the IC's. See intcor.doc for further details.
Posted By: rmv Re: Connect records in PDB files - 02/08/04 12:23 AM
No, WRITE PDB only writes out ATOM records (even for water); the PDB reading and writing routines in CHARMM could use an overhaul.
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