Re: [ccp4bb] Nucleic Acid Descriptors?

2024-12-27 Thread Jorge Iulek
Dear Shawn, cpptraj from amber has a large number of parameters it can calculate, with some specific routines to nucleic acids. My hello to Rutgers, too! Jorge On 12/26/24 20:46, Shawn R wrote: Dear Colleagues, I am trying to characterize nucleic acid duplexes with paramet

Re: [ccp4bb] Nucleic Acid Descriptors?

2024-12-27 Thread Bohdan Schneider
Dear Shawn, hello to Rutgers! dnatco.datmos.org reports local conformers in terms of *much extended* A/B/Z concept. The conformers are called NtC classes and can be generalized into a high-level structural alphabet CANA. NtC classes are defined for dinucleotide blocks because to catch conform