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Step1.
通过advance serarch 中的Smiles search找到所有该条件的配体编号。
注意得到PDB是复合物中含苯环的,大分子含苯环就满足条件。所以不可用。
Step2
通过advance search中的lig ids search 填写step1中的编号找到所有满足条件的PDB编号,就可以了。
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一步成功法:
Thank you for your email message.
When you perform your search, please choose 'free' in the 'polymer type' option (see attached) otherwise standard residues (e.g. Phe) containing a phenyl group will be included.
Please let us know if we can be of additional assistance.
Rachel Green
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