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amber [2018/05/15 03:59] – created - external edit 127.0.0.1amber [2025/10/05 10:48] (current) – [Atom Mask] yxue
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   * http://ambermd.org/tutorials/   * http://ambermd.org/tutorials/
   * http://ringo.ams.sunysb.edu/index.php/2016_AMBER_tutorial_with_Beta_Trypsin   * http://ringo.ams.sunysb.edu/index.php/2016_AMBER_tutorial_with_Beta_Trypsin
 +
 +====== Basics ======
 +===== Atom Mask =====
 + * [[https://amberhub.chpc.utah.edu/atom-mask-selection-syntax/ | Link]]
 +|Syntax| Example|
 +|:{residue numlist}| ’:1-10’, ’:1,3,5’, ’:1-3,5,7-9’|
 +|@{atom numlist}| ’@12,17’, ’@54-85’, ’@12,54-85,90’|
 +|:{residue namelist}| ’:LYS’, ’:ARG,ALA,GLY’|
 +|@{atom namelist}| ’@CA’, ’@CA,C,O,N,H’|
 +|@%{atom type name}| ’@%CT’|
 +|@/{atom_element_name}| ’@/N’|
 +|Selection for CHAIN ID’s| #Select chain A \\ ::A \\ # Select residues 1-10 of chains A, B, and C \\ ::A,B,C:1-10\\ # Select protein backbone atoms of residues 2-20 in chains A and B \\ ::A,B:2-20@CA,C,O,N|
  
 ====== Links ====== ====== Links ======
amber.1526356779.txt.gz · Last modified: 2018/05/15 03:59 by 127.0.0.1