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求助checkcif问题
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PLAT780_ALERT_1_A Coordinates do not Form a Properly Connected Set ? 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. 请教高手如何解决这个问题! 他引起另外一个问题 PLAT120_ALERT_1_C Reported SPGR ? Inconsistent with Explicit P-1 导致空间群错误 |
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