This page allows you to load a molecule from a PDB file, to compute its lipophilicity (log P) and to display its lipophilicity potential. The compound displayed by default is acetone. You may choose another molecule by means of the input line below. Sum MLP - : Sum of negative lipophilicity potentials Sum MLP + : Sum of positive lipophilicity potentials XlogP : Log P of the molecule, computed by adding the atomic fragmental constants You can also enter a Chime command in the input line. The command will be executed and the output messages will appear in the window. Informations about the Chime command language are available at http://www.umass.edu/microbio/chime/chimehow/script.htm Enter the name of the PDB file, then click the Load button : Enter a Chime command in the line below, then press Enter. The Recall button recalls the last command. The Clear button clears the window. This page is based on a previous work by Eric Martz. (http://www.umass.edu/microbio/chime/chimehow/fs_cmdl2.htm).
This page allows you to load a molecule from a PDB file, to compute its lipophilicity (log P) and to display its lipophilicity potential. The compound displayed by default is acetone. You may choose another molecule by means of the input line below.
You can also enter a Chime command in the input line. The command will be executed and the output messages will appear in the window. Informations about the Chime command language are available at http://www.umass.edu/microbio/chime/chimehow/script.htm
This page is based on a previous work by Eric Martz. (http://www.umass.edu/microbio/chime/chimehow/fs_cmdl2.htm).