186 Results Found
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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.

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    How-to: visualise crystal morphology

    For some structures you may be interested in the physical shape of the crystal and the relationship between this shape and the structure at the molecular level. You can predict the shape of the crystal itself using the BFDH morphology option.

    Here each of the crystal faces is indexed and we can explore the packing of the structure as normal. If you have experimentally determined the crystal shape (by "face indexing") you may want to read in this information for display in Mercury. You can do this by opening the BFDH morphology dialogue and clicking on Open, then reading in your morphology file.

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    How-to: use lasso to select atoms in Mercury

    A 'how to' video on using the Lasso Select in 'Mercury.'

    To use the lasso select in mercury you simply click on the lasso select icon in the top right of the Mercury window and then use the left click to draw around your atoms. You can use the lasso select on one molecule up to a whole crystal structure, in exactly the same way. Using the lasso select saves time as selecting individual atoms in a whole crystal structure can be unnecessarily time consuming.

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    Teaching: Electrophilic Addition Tutorial

    ​Elecrophilic addition excercise that uses the free teaching subset of the CSD

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    Teaching: VSEPR Tutorial

    VSEPR excercise that uses the free Teaching subset of the CSD