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xuwei0909

至尊木虫 (著名写手)

[交流] 各位大侠,这个A错误怎么消除啊?

PLAT780_ALERT_1_A Coordinates do not Form a Properly Connected Set

PLAT780 Type_1 Test whether coordinates form a connected set
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Atoms given in a CIF should form a 'connected set', i.e. no symmetry
operations are needed to get atoms in a bonding position. A connected set of
atoms is not needed for the least squares refinement (unless hydrogen atoms
are to be added at calculated positions). Geometry listings (bonds, angles,
torsions & H-bonds) become unwieldy for non-connected atom sets.
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shenjian-2

铜虫 (小有名气)


进入XP,READ、FMOL后进行GROW和FUSE操作。OK
2楼2008-07-22 11:54:35
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