发明名称 |
kD TREE AND ENVELOPE TO IMPROVE IDENTIFICATION OF NEAREST ATOMS |
摘要 |
A method and apparatus for performing a molecular modeling simulation is disclosed. The simulation may be configured to store the position of atoms for a first and second molecule in a first and a second kd-tree. The simulation may also generate an envelope that contains all atoms of the second molecule, parse the kd-tree generated for the first molecule to identify atoms of the first molecule within the kd-tree of that are within the envelope. For each such atom, the simulation may search the kd-tree generated for the second molecule to identify corresponding nearest atom of the second molecule.
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申请公布号 |
US2008275683(A1) |
申请公布日期 |
2008.11.06 |
申请号 |
US20070742888 |
申请日期 |
2007.05.01 |
申请人 |
PANG YUAN-PING;PINNOW KURT WALTER;WALLENFELT BRIAN PAUL |
发明人 |
PANG YUAN-PING;PINNOW KURT WALTER;WALLENFELT BRIAN PAUL |
分类号 |
G06G7/48 |
主分类号 |
G06G7/48 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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