fourier_maps
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fourier_maps [2021/05/12 15:13] – doubled up the comment command to help with the automatic syntax colouring rowlesmr3 | fourier_maps [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | ====== Fourier Maps in Superflip ====== | ||
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+ | In addition to the TOPAS Fourier map calculations and viewer, you can output information to calculate/ | ||
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+ | The macro below was contributed by Lynne McCusker. | ||
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+ | <code topas> | ||
+ | macro Out_Inflip(file) | ||
+ | ' Prints a superflip input file to generate a difference Fourier map in xplor format' | ||
+ | ' that can be viewed in Chimera' | ||
+ | ' The command | ||
+ | { | ||
+ | out file | ||
+ | Out_String(" | ||
+ | Out(Get(phase_name), | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out_String(" | ||
+ | Out(Get(a), | ||
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+ | { | ||
+ | " | ||
+ | " | ||
+ | " | ||
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+ | } | ||
+ | out file append | ||
+ | Out_String(" | ||
+ | } | ||
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+ | </ | ||
fourier_maps.txt · Last modified: 2022/11/03 15:08 by 127.0.0.1