forked from kad-ecoli/TMalign
-
Notifications
You must be signed in to change notification settings - Fork 0
zanderharteveld/TMalign
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
=============================================================================== This is a re-implementation of TM-align algorithm in C/C++. The code was is written by Jianyi Yang and later updated by Jianjie Wu at The Yang Zhang lab, Department of Computational Medicine and Bioinformatics, University of Michigan, 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218. Please report bugs and questions to [email protected] DISCLAIMER: Permission to use, copy, modify, and distribute this program for any purpose, with or without fee, is hereby granted, provided that the notices on the head, the reference information, and this copyright notice appear in all copies or substantial portions of the Software. It is provided "as is" without express or implied warranty. *************** updating history ******************************** 2012/01/24: A C/C++ code of TM-align was constructed by Jianyi Yang 2016/05/21: Several updates of this program were made by Jianjie 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' 2016/05/25: fixed a bug on PDB file reading 2018/06/04: Several updates were made by Chengxin 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 by the '-fast' option the fTM-align algorithm as described in Dong R, Pan S, Peng Z, Zhang Y, & Yang J (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 =============================================================================== ========================= How to install TM-align ========================= to compile the program in your Linux computer, simply enter make or g++ -static -O3 -ffast-math -lm -o TMalign TMalign.cpp ===================== How to use TM-align ===================== you can run the program without arguments to obtain a brief instruction ./TMalign structure1.pdb structure2.pdb ==================== About this program ==================== This program is written by Jianyi Yang at Yang Zhang lab And it is updated by Jianjie Wu at Yang Zhang lab Department of Computational Medicine and Bioinformatics University of Michigan 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218 Please report bugs and questions to [email protected] =================== Fortran version =================== You can download the fortran version of TM-align from http://zhanglab.ccmb.med.umich.edu/TM-align/ 05/21/2016
About
TM-align C++ version
Resources
Stars
Watchers
Forks
Packages 0
No packages published
Languages
- C 76.5%
- C++ 23.3%
- Makefile 0.2%