scientific-computingresearch
lucy-ngcase
Full de novo structure elucidation - skip dereplication and solve the structure from NMR correlations. Use when dereplication returned no matches, the compound is known to be novel, or you want to solve the structure from first principles.
maintainer
steinbeck
अपडेट किया गया 1/18/2026
स्टार
0
फोर्क
0
quick start
Installation and usage
Full de novo structure elucidation - skip dereplication and solve the structure from NMR correlations. Use when dereplication returned no matches, the compound is known to be novel, or you want to solve the structure from first principles.
इंस्टॉलेशन
$ install --globalskills.sh
उपयोग
इंस्टॉल करने के बाद, आप टर्मिनल में यह कमांड चलाकर इस स्किल का उपयोग कर सकते हैं:
skills use lucy-ngcase