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SHELX C/D/E: Difference between revisions
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→How to tell SHELXE about NCS in a molecular replacement solution PDB file: fix name
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=== How to tell SHELXE about NCS in a molecular replacement solution PDB file === | === How to tell SHELXE about NCS in a molecular replacement solution PDB file === | ||
(communicated by Isabel | (communicated by Isabel Usón) Insert a line | ||
REMARK 299 NCS GROUP BEGIN | REMARK 299 NCS GROUP BEGIN | ||
before the ATOM (or HETATM) lines of each NCS group (e.g. chain), and insert the line | before the ATOM (or HETATM) lines of each NCS group (e.g. chain), and insert the line | ||
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Usón, I., Stevenson, C.E.M., Lawson, D.M. & Sheldrick, G.M. (2007). "Structure determination of the O-methyltransferase NovP using the `free lunch algorithm' as implemented in SHELXE", ''Acta Crystallogr''. '''D63''', 1069-1074 [''Implementation of the FLA in SHELXE''].<br> | Usón, I., Stevenson, C.E.M., Lawson, D.M. & Sheldrick, G.M. (2007). "Structure determination of the O-methyltransferase NovP using the `free lunch algorithm' as implemented in SHELXE", ''Acta Crystallogr''. '''D63''', 1069-1074 [''Implementation of the FLA in SHELXE''].<br> | ||
[http://scripts.iucr.org/cgi-bin/paper?sc5010 Sheldrick, G.M. (2008). "A short history of SHELX", ''Acta Crystallogr''. '''D64''', 112-122] [''Standard reference for all SHELX* programs'']. | [http://scripts.iucr.org/cgi-bin/paper?sc5010 Sheldrick, G.M. (2008). "A short history of SHELX", ''Acta Crystallogr''. '''D64''', 112-122] [''Standard reference for all SHELX* programs'']. | ||
[http://dx.doi.org/10.1107/S0907444909038360 Sheldrick, G.M. (2010). "Experimental phasing with SHELXC/D/E: combining chain tracing with density modification", ''Acta Cryst'' '''D66''', 479-485.] | [http://dx.doi.org/10.1107/S0907444909038360 Sheldrick, G.M. (2010). "Experimental phasing with SHELXC/D/E: combining chain tracing with density modification", ''Acta Cryst'' '''D66''', 479-485.] | ||
[https://doi.org/10.1107/S0907444913027534 A. Thorn and Sheldrick, G.M. (2013). Extending molecular-replacement solutions with SHELXE. ''Acta Cryst'' '''D69''', 2251-2256.] | [https://doi.org/10.1107/S0907444913027534 A. Thorn and Sheldrick, G.M. (2013). Extending molecular-replacement solutions with SHELXE. ''Acta Cryst'' '''D69''', 2251-2256.] | ||
[https://journals.iucr.org/d/issues/2018/02/00/ba5271/ba5271.pdf Usón, I. & Sheldrick, G. M. (2018). An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features. ''Acta Cryst.'' '''D74''', 106-116.] | [https://journals.iucr.org/d/issues/2018/02/00/ba5271/ba5271.pdf Usón, I. & Sheldrick, G. M. (2018). An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features. ''Acta Cryst.'' '''D74''', 106-116.] | ||
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See also the [http://shelx.uni-goettingen.de/ SHELX homepage] | |||
[https://journals.iucr.org/d/issues/2024/01/00/qu5004/index.html Usón, I. & Sheldrick, G. M. (2024) Modes and model building in ''SHELXE. Acta Cryst D80, 4-15''.] | |||
<br>See also the [http://shelx.uni-goettingen.de/ SHELX homepage] | |||
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