Ketcher 在线分子结构绘制
使用 Ketcher 在线绘制与导入化学结构,导出 MOL、SDF、SMILES、KET 和 SVG,将分子传入计算工具。
Mol2Mat integrates Ketcher 3.18.0 with Indigo 1.46.0 for molecular structure editing in the browser. Draw atoms, bonds, rings and stereochemistry, edit an imported structure and export chemical files or a vector drawing.
Use the resulting SMILES in GFN2-xTB calculations, CREST conformer search or reaction tools. Structure transfer fills the selected input, where calculation parameters can be set.