Questions and Answers

0 Like 0 Dislike


why it cannot identify Zn in IRMOF1

i upload the cif of IRMOF1. In the data i get, Zn become C 

Report abuse

1 Responses

  1. 0 Dislike

    Lorena Alzate-Vargas


    Unfortunately we had a minor bug in the code and it was changing Zn for C, a new version has been deployed and it should be available soon and working properly for the IMOF. We don't have Gasteiger parameters for Zn so please consider this. Thanks!


    Reply Report abuse

    Please login to answer the question.