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口袋模型预训练时用到的是哪种pocket pdb？ #270

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ai4protein opened this issue Sep 15, 2024 · 1 comment

ai4protein commented Sep 15, 2024

请问预训练用的口袋是fpocket得到原始口袋pdb吗？fpocket得到的应该是口袋位置氨基酸部分原子的坐标，请问预训练的时候是用的口袋处氨基酸全部原子还是fpocket得到的部分原子？

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Naplessss commented Sep 18, 2024

we include all residues in fpocket selected atoms.

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