SASRES on prealigned Models? Turn off alignment?

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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mawhite
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SASRES on prealigned Models? Turn off alignment?

#1 Post by mawhite » 2018.01.11 21:01

Hello,

SASRES aligns the selected Models, including enantiomorph inversion, before calculating the FSC. The alignment process is very time consuming. When SUPCOMB or SUPALM has already been run on a series of models it would seem to no longer be necessary. The enantiomorph search can be turned off with the "-e No" directive, but it does not seem to be possible to turn off the alignment. Is there a reason that this is not an option?

Best regards,
Mark

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