179 Results Found
  • GDASH Installation Notes

    Last Modified: 27/01/2012 PDF

  • CSD Data Sheet (Chinese Version)

    Last Modified: 27/01/2012 PDF

  • Reliscript User Guide

    Last Modified: 27/01/2012 PDF

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    Mogul - Validating Molecular Geometries

    ​Mogul - A knowledge-based library of molecular geometries

    Mogul enables rapid validation of newly refined crystal structures or computationally generated molecular models by providing access to millions of bond, angle, torsional fragments and ring conformations derived from experimentally observed crystal structures.

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    How-do: reveal neigbouring molecules using Mercury

    Using Mercury you may want to find out what is next to a molecule in a crystal structure however you would have to know what you were looking for and edit the contact options accordingly. This tool automatically reveals what is next to a molecule in any given direction, depending on where you choose.

    Produced by Andrew Bennett (a student at Dame Alice Owen's School, Potters Bar) during a work experience placement at CCDC.

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    Solid Form Suite Webinar #4: Guiding co-crystal development

    In a series of four webinars, hear from speakers from CCDC and Pfizer about:

    •Solid Form Informatics: predictive analytics for solid form development.
    •How Solid Form Informatics supports critical development decisions.
    •CSD Solid Form Suite: a new set of tools to support screening, selection and risk assessment.

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    Solid Form Suite Webinar #2: Solid Form Design in the Pharmaceutical Industry

    In a series of four webinars, hear from speakers from CCDC and Pfizer about:

    • Solid Form Informatics: predictive analytics for solid form development.
    • How Solid Form Informatics supports critical development decisions.
    • CSD Solid Form Suite: a new set of tools to support screening, selection and risk assessment.​

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    Solid Form Suite Webinar #3: Assessing polymorphism

    In a series of four webinars, hear from speakers from CCDC and Pfizer about:

    • Solid Form Informatics: predictive analytics for solid form development.
    • How Solid Form Informatics supports critical development decisions.
    • CSD Solid Form Suite: a new set of tools to support screening, selection and risk assessment.​

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    Solid Form Suite Webinar #1: Managing Risk and Improving Quality with Solid Form Informatics

    ​In a series of four webinars, hear from speakers from CCDC and Pfizer about:

    • Solid Form Informatics: predictive analytics for solid form development.
    • How Solid Form Informatics supports critical development decisions.
    • CSD Solid Form Suite: a new set of tools to support screening, selection and risk assessment.

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    How-to: Visualise the void space in a structure

    ​A 'how to' video on visualising the void space in a structure using 'Mercury.'

    To visualise the void space of a functional structure you need to enter the Display tab and then click Voids. When the box has opened you simply need to tick Show Voids and then press OK. You can use the pack option (shown in video) to expand the structure and then turn on voids to see what the voids look like in the structure. You can then turn off the pack option to fully visualise the voids without the packed molecules in the way.

    Produced by Andrew Bennett (a student at Dame Alice Owen's School, Potters Bar) during a work experience placement at CCDC.