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sketcher [2012/10/12 15:27]
rkiss
sketcher [2012/10/12 15:36]
rkiss
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 It can be used to draw query molecules e.g. for [[similaritysearch|similarity searches]]. Atom types can be selected from the menu bar on the left-hand side (second line, left). Atom symbol of already drawn atoms can be changed by moving the mouse above them and type in the symbol of the required atom. Isotopes and radicals are currently not supported. Structures (in Mol format) can be exported or imported by clicking on the 7th or 8th buttons in the bottom menu bar. Extra stereo bond types, such as the crossed double bond (unknown/​undefined cis-trans double bond) and wavy single bond (unknown single bond) are available from the menu bar (second line, right). Note that the direction of the up and down wedge bonds and wavy bonds can be changed by clicking on the drawn bond again. It can be used to draw query molecules e.g. for [[similaritysearch|similarity searches]]. Atom types can be selected from the menu bar on the left-hand side (second line, left). Atom symbol of already drawn atoms can be changed by moving the mouse above them and type in the symbol of the required atom. Isotopes and radicals are currently not supported. Structures (in Mol format) can be exported or imported by clicking on the 7th or 8th buttons in the bottom menu bar. Extra stereo bond types, such as the crossed double bond (unknown/​undefined cis-trans double bond) and wavy single bond (unknown single bond) are available from the menu bar (second line, right). Note that the direction of the up and down wedge bonds and wavy bonds can be changed by clicking on the drawn bond again.
  
-To learn more about our stereochemical ​conventions, click [[stereoconventions|here]].+To learn more about our stereochemical ​notations, click [[stereonotations|here]].
sketcher.txt ยท Last modified: 2012/10/12 21:28 by rkiss