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CNS2FSFOUR.COM |
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| notice | |
This script solution for converting CNS maps to XtalView FSFOUR maps is now obsolete. The program cns2fsfour will convert maps directly and not require the various programs listed here. I encourage anyone still using this script to switch to the new program. |
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| script requirements | |
cns2fsfour.com is a csh script that actually takes advantage of three programs to do its work:
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| cns2fsfour.com usage | |
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cns2fsfour.com
<cns input map> <xtalview output map> [<space group>] The space group information unfortunately has to be added externally since CNS doesn't provide it. If a space group or space group number is placed as the third item on the command line, then the script will try and obtain it from an XtalView crystal file specified by the environment variable CRYSTAL in the current directory or (if not found) in the CRYSTALDATA directory as for all XtalView programs. |
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| cns requirements | |
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When writing the CNS map, it is important to write out all of the unique information so choose the asymmetric unit rather than just the molecule. |
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| xtalview instructions | |
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When reading in (any) FSFOUR maps into XtalView, right-click on the Load/write Map button under the Files... dialog and choose "Load Fsfour Format Map (*.map)". Simply choosing the default (reading the file as if it were a text phase file) won't work. |
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| a final word | |
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As always, I've only extensively tested this program against many of the things that I do regularly so there are potentially a number of bugs that are creeping about. I've written the program to be very robust so that it should survive even fairly pathological cases, but I've only checked a finite number of these. If you run into any problems, feel free to e-mail me and depending on the problem (and my schedule) I might crack open the code and fix them. Praise and requests for options that would be useful are also welcome. |