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Diffstat (limited to 'biology/coordgenlibs/DESCR')
| -rw-r--r-- | biology/coordgenlibs/DESCR | 8 |
1 files changed, 8 insertions, 0 deletions
diff --git a/biology/coordgenlibs/DESCR b/biology/coordgenlibs/DESCR new file mode 100644 index 00000000000..a08540e3438 --- /dev/null +++ b/biology/coordgenlibs/DESCR @@ -0,0 +1,8 @@ +This is Schroedinger, Inc's 2D coordinate generation. It was formerly +proprietary code, but is now released under the BSD license. + +The emphasis of these algorithms are on quality of 2D coordinates rather than +speed of generation. The algorithm distinguishes itself from many others by +doing well with both macrocycles and metal complexes. It also does extremely +well on typical drug-like small molecules, and has been validated on millions +of compounds. |