
生物信息学
数学工具构造器
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给PyMOL添加图标
pymol.desktop[Desktop Entry]Name = PyMOLExec = /home/tqc/software/pymol/pymolIcon=/home/tqc/software/pymol/share/pymol/data/pymol/icons/icon2_128x128.pngTerminal=falseStartupNotify=trueType=A...原创 2019-05-30 13:10:20 · 1082 阅读 · 1 评论 -
模拟nitrogen基础镜像所构建的Python3.5环境
absl-py==0.5.0asn1crypto==0.24.0astor==0.7.1boost==0.1boto3==1.9.13botocore==1.12.13cffi==1.11.5chardet==2.3.0cryptography==2.3.1cycler==0.10.0Cython==0.28.5decorator==4.3.0docutils==0.14...原创 2019-06-07 15:46:15 · 292 阅读 · 0 评论 -
生物信息学
conda install -c conda-forge rdkit原创 2019-05-27 11:42:05 · 519 阅读 · 0 评论 -
sdf转smi
from rdkit import Chemsmi = Chem.MolToSmiles(Chem.SDMolSupplier(sdf_path)[0])原创 2019-09-10 16:36:59 · 871 阅读 · 1 评论 -
切割sdf
def split_sdf(sdf_file_path): txt = Path(sdf_file_path).read_text() sdf_list=[] lines=[] for line in txt.splitlines(): lines.append(line) if line=='$$$$': i...原创 2019-09-13 16:04:38 · 832 阅读 · 0 评论