US-align Update history
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2026/03/28:
Fix -mm 1 asymmetric alignment bug where oligomer alignment
output depends occasionally on input file order
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2024/11/08:
Add -chimerax for UCSF ChimeraX format output
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2024/10/30:
Set default for -ter and -split based on -mm output
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2024/07/30:
Allow using -se with -byresi 6 7
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2024/07/05:
Add -do to output distances for aligned residue pairs
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2024/06/02:
Allow using -mm 4 with -se
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2024/05/10:
better handling of alternative location indicator, e.g., 5e1n
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2024/03/19:
chain mapping for trimer -TMscore
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2024/03/04:
Add -chain1 and -chain2 options to specify chains to align
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2023/12/22:
Forbid chain assignment refinment for -chainmap
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2023/12/13:
Refine chain assignment for -TMscore >=6 for large complex
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2023/06/09:
Correct atom name justification in PDB file for standard amino
acids and nucleotides
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2022/09/24:
Support -TMscore for complex when the chain order is different
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2022/06/26:
Add -full option for -mm 2 and 4 to show chain level alignment
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2022/06/23:
Fix -m for Windows. Add pymol plugin
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2022/06/22:
Fix infinite loop for mal-formatted PDB
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2022/06/20: Ensure sequentiality within SSE in sequence order
semi-independent alignment
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2022/06/07:
Sequence order semi-independent alignment
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2022/05/30: Correct atom pair output for -mm 5
- 2022/05/24: Limited support for sequence order independent alignment
- 2022/05/11: Update -mm 4 output format
- 2022/04/12: Support AlphaFold CIF
- 2022/02/27: Add -seq (-byresi 4 & 5) for TM-score superimposition guided by
sequence alignment
- 2021/10/03: Support Windows
- 2021/08/17: Complete implementation of MMalign for oligomer alignment
- 2021/05/29: Remove unnecessary depedency on malloc.h, which prevent
compilation on Mac OS
- 2021/01/07: Fixed bug in TMscore -c for TM-score superposition between
two oligomers
- 2020/12/12: Fixed bug in double precision coordinate mmcif alignment
- 2020/05/19: Add back rasmol output by -rasmol
- 2019/08/18: Prevent excessive circular permutation alignment by -cp
- 2019/07/24: Fixed bug in displaying matching residues.
Added GDT and MaxSub to TMscore program.
- 2019/04/25: The RNA-align algorithm was published by Bioinformatics
- 2019/03/27: Added the -mirror option for mirror structure alignment
- 2019/03/17: Added the -cp option for circular permutation
- 2019/02/09: Fixed asymmetric alignment bug where the output result is
occasionally dependent on the order of input files.
- 2019/01/07: C Zhang added support for PDBx/mmCIF format
- 2018/10/20: C Zhang and S Gong updated the RNA alignment part of
the program. Changes include:
(1) new d0 calculation for RNA.
(2) secondary structure assignment for RNA.
(3) automatic detection of molecule type (protein vs RNA).
- 2018/08/16: Added the -infmt1, -infmt2 options.
TMalign can now read .gz and .bz2 compressed files.
- 2018/08/14: Added the -split option to split input structure by chain or
by model
- 2018/08/07: Added the -dir option for all-against-all alignment within a
folder
- 2018/07/27: Added the -byresi option for TM-score superposition without
re-alignment as in TMscore and TMscore -c
- 2018/06/04: Several updates were made by C Zhang, including
(1) Fixed bug in reading PDB files with negative residue index,
at the expense of the '-o' option now only being able to
output superposed structure instead of full rasmol script.
(2) Implemented the fTM-align algorithm (by the '-fast' option)
as described in R Dong, S Pan, Z Peng, Y Zhang, J Yang
(2018) Nucleic acids research. gky430.
(3) Included option to perform TM-align against a whole
folder of PDB files. A full list of options not available
in the Fortran version can be explored by TMalign -h
- 2016/05/25: fixed a bug on PDB file reading
- 2016/05/21: Several updates of this program were made by J Wu, including
(1) fixed several compiling bugs
(2) made I/O of C/C++ version consistent with the Fortran version
(3) added outputs including full-atom and ligand structures
(4) added options of '-i', '-I' and '-m'
- 2012/01/24: A C/C++ code of TM-align was constructed by J Yang
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