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Re: [modeller_usage] ab initio modelling with X-ray data

On 12/15/09 2:16 AM, leuven wrote:
We have obtained a low resolution crystallography data for our protein,
and we want to add it as restrain condition for ab initio modelling with
MODELLER, just like the tutorial 5: Modelling with cyro-EM does, could
it be done? And the data format of density map from crystallography is
sca or mtz, while from EM it is mrc, how to fix it?

You can add additional data from any source, providing you can figure out how to encode it as a restraint. If you want to (ab)use the existing EM restraint for this purpose, you will have to manually convert your data into something that looks like an EM map in MRC or XPLOR format - it doesn't read sca or mtz of course, because it is not designed to handle crystallographic data.

If you want to write your own restraint type, see http://salilab.org/modeller/9v7/manual/node427.html

	Ben Webb, Modeller Caretaker
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage