Re: [ccp4bb] How to make covalent bond for modified nucleic acid

2023-08-29 Thread FULVIO SACCOCCIA
L.AC.UK Oggetto: [ccp4bb] How to make covalent bond for modified nucleic acid Greeting to all, I am struggling to place modified nucleotides into an oligonucleotide strand. I built the ligand restraint dictionaries both in Acedrg or Elbow; the generated liogands look fine, but the covalent

Re: [ccp4bb] How to make covalent bond for modified nucleic acid

2023-08-29 Thread Keitaro Yamashita
Dear Ai, Are you trying to make phosphodiester bonds in the main chain? Do your modified nucleotides follow the standard atom names (P, OP1, OP2, ..., O3')? If so, you can just change the group name (_chem_comp.group) to RNA (or DNA). Otherwise you could either change atom names to follow the stan

[ccp4bb] How to make covalent bond for modified nucleic acid

2023-08-28 Thread Hsuan-Ai
Greeting to all, I am struggling to place modified nucleotides into an oligonucleotide strand. I built the ligand restraint dictionaries both in Acedrg or Elbow; the generated liogands look fine, but the covalent bond between the ligand and the modification site cannot be generated, also in vai