Ramuenishetty
Ramuenishetty
New version of Opsin (2.8.0) is not creating correct Mol file / giving error for the compounds with isotopes Examples: i) lysergic acid diethylamide-d3 - error found for this compound...
For some compound names, new version of Opsin is giving Syntax error Examples: 1-[[[3-Carbonyl(1,1'-biphenyl)-4-yl]carbonyl]aminopropyl]-D-lysergic acid amide, N-(1-octylnonyl)-N'-2-bromoethyl-perylene-3,4,9,10-tetracarboxylic-3,4:9,10-bis(dicarboximide),
New version of Opsin (2.8.0) is not supporting for some glyceric acid derivatives, Examples : O-α-D-glucopyranosyl-(1->2)-D-glyceric acid, 2,3-diphospho-D-glyceric acid pentasodium salt, dicaffeoyl-L-glyceric acid, 3-phospho-D-glyceric acid barium salt, 1,3bisphosphoglycerate.
New version of Opsin (2.8.0) is not providing Mol file / sometimes giving incorrect Mol file and giving error for the dicarboximido based compounds examples: n-octyl bicycloheptene dicarboximide, vinclozolin, iprodione,...
Mol file created by new Opsin version (2.8.0) - giving correct structure but configuration is wrong. Example: [5R,8R,10R]-2-bromo-9,10-dihydro-lysergic acid, for this compound obtained structure is correct but configuration at 10th...
New version of Opsin is not creating Mol files for drug name such as Naproxen, vinclozolin, iprodione, Captan and error observed.
New version of Opsin is not supporting for some sugars and sugar based compounds. Examples: guanosine 5'-diphospho-D-mannose, 2-O-acetyl-3,4,6-tri-O-benzyl-α-D-mannopyranosyl trichloroacetimidate, β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→4)-D-mannose, iron sucrose, mannose phosphate sodium. New version of Opsin is...
New version of Opsin is unable to create Mol file for Chemical formulae ex: CaCl2.6H2O, and abbreviated names of chemical compounds: PEG, H12 MDI, Fc, (3H-LSD). Error found
New version of opsin providing incorrect Mol file for Organo-metallic compounds which leads to incorrect structure example: Ferrocene.