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w953274141

铜虫 (正式写手)

[求助] 如何用perl脚本编写测量两组原子的距离

我在做高分子链的交联 需要通过测量待反应原子间的距离来判断是否成键, 测量待反应原子之间距离的perl脚本该如何编写,查了help中的例子太简单,还是不明白;下面是help里面的代码:
my $distances = $doc->Distances;
foreach my $distance (@$distances) {
    ...
}
求大神棒棒忙!
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S-Loser

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2楼2019-04-07 11:17:57
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