search

cheminfo / octochemdb

https://octochemdb.cheminfo.org/documentation/static/index.html
MIT License
1 stars 0 forks source link

Differences in coordinates after update of openchemlib #99

Closed RicardoSilvestr closed 1 year ago

RicardoSilvestr commented 1 year ago

Coordinates are different when updating openchemlib from 8.2.0 to 8.3.0: 

  -       "coordinates": "!B?l]kcQRMZ{HTlmlUd]c~vARMJX]CkHt@qKzGUcv`NXa\\`l^n`hpx\\RUDG?ZBcHJLNGDeQEh{VcnBc@",
  +       "coordinates": "!B?l]kcQRMZ{HTlmlUd]`Tc_{XJX]CkHt@qKzGUcv`NXa\\`l^n`hpx\\RUDG?ZBcHJLNGDeQEh{VcnBc@",

Molecule idCode: eghPJ@@@D@cklbbRbbbdjdUdJtffcgbVQPrsTuSUUUUUSUP@@ Everything else is the same.

lpatiny commented 1 year ago

It is related to coordinates so should not be important.