Hi Gary-- Does the ATb contain PNAs with linkage information? I think the CHARMM files should have that directly.
Charles On Wed, 11 Jun 2025 15:18:44 -0400, Gary Thompson wrote: > > [1 <text/plain; utf-8 (base64)>] > [2 <text/html; utf-8 (base64)>] > Would the ATB https://atb.uq.edu.au/ be of some use as well? > > regards > Gary > > Dr Gary S Thompson NMR Facility Manager > CCPN CoI & Working Group Member > Wellcome Trust Biomolecular NMR Facility > School of Biosciences, Division of Natural Sciences > University of Kent, Canterbury, Kent, England, CT2 7NZ > > ☎:01227 82 7117 > ✉️: [email protected] > orchid: orcid.org/0000-0001-9399-7636 > > On 11 Jun 2025, at 20:15, Charles Schwieters <[email protected]> > wrote: > > Hello Yoanes-- > > I am Yoanes from Ghent University. Recently, we planned to calculate > structure based on NMR data regarding DNA:PNA-small molecule > conjugate complex. Is there a certain nomenclature to build the > topology and parameter files for PNA residues? > > A good starting point might be the CHARMM PNA parameters- I am certain > that these can be adapted for use in Xplor-NIH. You might obtain these > parameters, and then contact me if you need assistance in building > Xplor-NIH .top and .par files. > > best regards-- > Charles > > ######################################################################## > > To unsubscribe from the XPLOR-NIH list, click the following link: > Bad URL Removed - see why - > > https://ees.sps.nih.gov/services/Pages/Anti-Virus.aspx%3FSUBED1%3DXPLOR-NIH%26A%3D1&data=05%7C02%7Cg.s.thompson%40kent.ac.uk%7Cbda9b8872a8d43fa62e608dda91c58fd%7C51a9fa563f32449aa7213e3f49aa5e9a%7C0%7C0%7C638852661571846715%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=IoNqoTP3ycKd2auPlHn9OHp45DpgVyjFy9h53jgw3oA%3D&reserved=0 > > > ------------------------------------------------------------------------------- > > To unsubscribe from the XPLOR-NIH list, click the following link: > Bad URL Removed - see why - > https://ees.sps.nih.gov/services/Pages/Anti-Virus.aspx?SUBED1=XPLOR-NIH&A=1 ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
