XPLOR can do it or NAB from David case I believe Also rosetta stores its structures (silent.out) most as phi psi chi angles + Calpha coords I believe
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 ✉️: g.s.thomp...@kent.ac.uk orchid: orcid.org/0000-0001-9399-7636 On 4 Apr 2025, at 13:05, Jon Cooper <0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: Hello, I thought of XPLOR but it's been a while... (attached picture). Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent from Proton Mail Android -------- Original Message -------- On 04/04/2025 12:19, Harry Powell <0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: Hi Charlie Not sure if this is at all relevant (or even right - I expect others to correct me...), but Helen Ginn’s “Vagabond” does a refinement based on torsion angles rather than atomic positions, so she might have something that does what you are after. Harry On 4 Apr 2025, at 11:27, Carter, Charlie <0001086f1a20d42f-dmarc-requ...@jiscmail.ac.uk> wrote: Does anyone know if there is a program that will take a sequence file associated with phi and psi angles and produce a 3D coordinate set in pdb format? I know this can be done in the sense that Byron Rubin’s bender did the same thing in analog fashion. Many thanks Charlie Carter ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://eur01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=05%7C02%7CG.S.Thompson%40kent.ac.uk%7Cbbb55b85be5a4deaea8e08dd737116ae%7C51a9fa563f32449aa7213e3f49aa5e9a%7C0%7C0%7C638793651747951558%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=gSIn5ExNXVQG7Pvtbw6tmmye5qSN%2FC%2BtO59B5IMGDqQ%3D&reserved=0 This message was issued to members of 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