Python Macromolecular Library (mmLib)

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Analyzed 12 months ago. based on code collected 12 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 17, 2023 — Jan 17, 2024 Showing page 4 of 34 Search / Filter on:
added line break after ICODE notices.	Christoph Champ as christophchamp	More...				over 14 years ago
formatting.	Christoph Champ as christophchamp	More...				over 14 years ago
if completed job list is empty, wait until one is instead of failing.	Christoph Champ as christophchamp	More...				over 14 years ago
correctly format table when zero jobs have been completed.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed typo that have caused a crash + formatting.	Christoph Champ as christophchamp	More...				over 14 years ago
switched to global SUPER_ATOMS.	Christoph Champ as christophchamp	More...				over 14 years ago
raise SystemExit incase unable to minimize a given chain.	Christoph Champ as christophchamp	More...				over 14 years ago
+JUNCTION_ATOMS, SUPER_ATOMS, and ALPHABET global variables.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed bug when TLS ORIGIN records in header were not in proper columns.	Christoph Champ as christophchamp	More...				over 14 years ago
+B2UE4 global variable.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed some typos in the documentation of functions.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed a few typos in the documentation.	Christoph Champ as christophchamp	More...				over 14 years ago
new calc_torsion_angle() function w/examples, as old one didn't do what it claimed.	Christoph Champ as christophchamp	More...				over 14 years ago
allow for several more kinds of punctuation for user_comment.	Christoph Champ as christophchamp	More...				over 14 years ago
set charset=UTF-8 and XHTML -> HTML for formatting.	Christoph Champ as christophchamp	More...				over 14 years ago
changed "CONTAINS" to "WITH".	Christoph Champ as christophchamp	More...				over 14 years ago
switched from "if not set_pdb_db" to try/except.	Christoph Champ as christophchamp	More...				over 14 years ago
added global RE_MAINCHAIN_ATOMS for use with regex.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed bug in set_pdb_db(pdbid); would not write to DB correctly.	Christoph Champ as christophchamp	More...				over 14 years ago
added more safeguards, try/excepts for Refmac5RefinementPrep()	Christoph Champ as christophchamp	More...				over 14 years ago
flush log_write format.	Christoph Champ as christophchamp	More...				over 14 years ago
warn user if their chain(s) contain non-standard residue types.	Christoph Champ as christophchamp	More...				over 14 years ago
more verbose error message + cleaned up some TODOs/FIXMEs.	Christoph Champ as christophchamp	More...				over 14 years ago
allow a search of the archive if the query is for very old info.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed multiple bugs that would cause the script to fail if variables weren't properly initialized.	Christoph Champ as christophchamp	More...				over 14 years ago
added REFINEMENT_FILES_DOWNLOAD_INFO caption.	Christoph Champ as christophchamp	More...				over 14 years ago
allow for unrecognized atom names, but warn user about them.	Christoph Champ as christophchamp	More...				over 14 years ago
fixed bug: "count_amino_acids" -> "count_nucleic_acids".	Christoph Champ as christophchamp	More...				over 14 years ago
fix to ignore unknown atoms names within known residues.	Christoph Champ as christophchamp	More...				over 14 years ago
added 'return 0;' to int main()	Christoph Champ as christophchamp	More...				over 14 years ago

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