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    • 1. 发明授权
    • Molecule design support apparatus and computer-readable storage medium
    • 分子设计支持设备和计算机可读存储介质
    • US08271250B2
    • 2012-09-18
    • US11976360
    • 2007-10-24
    • Hiroyuki SatoAzuma Matsuura
    • Hiroyuki SatoAzuma Matsuura
    • G06G7/58
    • G06F3/04815G06F19/706G06F19/708
    • A molecule design support apparatus has an input part, a display to display on a screen thereof a three-dimensional molecular structure by a half vector format or a ball-and-stick format, and a determining part to determine, in the molecular structure, an end that is to become a target of a coordinate modification with respect to a molecule in its entirety, in response to a bond axis of the molecule specified from the input part. The apparatus further has a modifying part to make a modification of the molecular structure based on the specified bond axis and the end that is the target of the coordinate modification, in response to the modification specified from the input part, and a display part to display a modified molecular structure on the screen of the display based on a determination made by the determining part and the modification made by the modifying part.
    • 分子设计支持装置具有输入部分,通过半矢量格式或球形格式在其屏幕上显示三维分子结构的显示器,以及确定部件,在分子结构中, 响应于从输入部分指定的分子的键轴,成为关于整体上的分子的坐标修饰的目标。 该装置还具有修改部分,以响应于从输入部分指定的修改而基于指定的键合轴和作为坐标修改的目标的结束的分子结构的修改,以及显示部分 基于由确定部分进行的确定和由修改部分进行的修改而在显示器的屏幕上的修改的分子结构。