7 Results Found
  • Intermolecular interaction searching in ConQuest

    A self-guided workshop on how to include inter- and intra-molecular interactions in ConQuest searches.

    Last Modified: 18/09/2020 PDF

  • Using 3D information in searches in ConQuest

    A self-guided workshop on advanced searching in ConQuest

    Last Modified: 16/09/2020 PDF

  • Introduction to ConQuest

    A self-guided workshop on how to conduct basic search in ConQuest

    Last Modified: 16/09/2020 PDF

  • ConQuest User Guide (2020.2)

    Last Modified: 12/12/2019 PDF

  • CSD Release & Installation Notes (2019)

    Last Modified: 22/11/2018 PDF

  • Exploring symmetry related bias in conformational data from the CSD

    ​One frequently presented argument against using small molecule crystal structure data in conformer generation is that the close packing observed within crystal structures can significantly bias the observed conformations away from gas phase norms. We explore some well known cases where symmetry effects bias the distribution of conformational geometric information and to find the conditions that lead to this bias.

    Last Modified: 14/02/2012 PDF

  • How to use CSD Subsets in ConQuests

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    This video helps you find specific entries in the CSD such as drugs, pesticides, MOFs or best representative structures by showing you how to use subsets in ConQuest. The demonstration includes how to load a subset, how to search structures at the intersection of two subsets (or two hitlists), and how to restrict a search to a chosen subset.