Unix Tcl错误:错误;设置varName?newValue?“;
我试图运行以下Tcl脚本,但出现了错误:错误#args:应该是“set varName?newValue?” 这是什么意思 注意:脚本包括特定于VMD程序的术语,如mol和resid。请不要理会他们Unix Tcl错误:错误;设置varName?newValue?“;,unix,tcl,vmd,Unix,Tcl,Vmd,我试图运行以下Tcl脚本,但出现了错误:错误#args:应该是“set varName?newValue?” 这是什么意思 注意:脚本包括特定于VMD程序的术语,如mol和resid。请不要理会他们 #count water molecules between chain A and chain C or between #chain B and chain C set input_file [open ./name_3_pdb_chain_renamed.dat r] set data
#count water molecules between chain A and chain C or between #chain B and chain C
set input_file [open ./name_3_pdb_chain_renamed.dat r]
set data [read $input_file]
set data [split $data "\n"]
close $input_file
set chain_list [lindex $data 0]
cd 7_count_water
set outfile [open count_water3.dat w]
set chain_compare ""
set pdblen [llength $chain_list]
for {set i 0} {$i<$pdblen} {incr i} {
set pid [lindex [lindex $chain_list $i] 0]
set len [llength [lindex $chain_list $i]]
mol load pdb ../2_chain_rename/${pid}_chain_revised.pdb
mol modstyle 0 top NewCartoon
if {$len==4} {
set chain_compare [lappend chain_compare $pid]
}
set 11 [atomselect top all]
set mid [$11 molid]
mol delete $mid
}
set lll [llength $chain_compare]
for {set j 0} {$j< $lll} {incr j} {
set pid [lindex $chain_compare $j]
mol load pdb ../2_chain_rename/${pid}_chain_revised.pdb
set 11 [atomselect top "chain A and name CA"]
set res_len [llength [$11 get resid]]
set res_id [$11 get resid]
#residue length for chain C
set ag [atomselect top "chain C and name CA"]
set ag_len [llength [$ag get resid]]
set ag_id [$ag get resid]
#loop water between chain A and chain C
for {set k 0} {$k<$res_len} {incr k} {
set water_around_a [atomselect top "{resname HOH and {within 5.0 of {chain A and resid [lindex $res_id $k]} and {within 5.0 of chain C}}} "]
set water_around_a_resid [$water_around_a get resid]
set water_around_a_resname [$water_around_a get resname]
#loop antigen residues around water
for {set g 0} {$g < $ag_len} {incr g} {
set ag_around_water [atomselect top "{chain C and resid [lindex $ag_id $g] and {within 5.0 of {resname HOH and {within 5.0 of {chain A and resid [lindex $res_id $k]}}}}} "]
set ag_around_water resid [$ag_around_water get resid]
set ag_around_water_resname [$ag_around_water get resname]
puts $outfile "$pid [lindex $res_id $k] [lindex [$11 get resname] $k] $ag_around_water_resname A: $water_around_a_resname"
}
}
set b11 [atomselect top "chain B and name CA"]
set b_res_len [llength [$b11 get resid]]
set b_res_id [$b11 get resid]
#residue length for chain C
set ag [atomselect top "chain C and name CA"]
set ag_len [llength [$ag get resid]]
set ag_id [$ag get resid]
for {set k 0} {$k<$res_len} {incr k} {
set water_around_b [atomselect top "{resname HOH and {within 5.0 of {chain B and resid [lindex $b_res_id $k]} and {within 5.0 of chain C}}} "]
set water_around_b_resid [$water_around_b get resid]
set water_around_b_resname [$water_around_b get resname]
#loop antigen residues around water
for {set g 0} {$g < $ag_len} {incr g} {
set ag_around_water [atomselect top "{chain C and resid [lindex $ag_id $g] and {within 5.0 of {resname HOH and {within 5.0 of {chain B and resid [lindex $b_res_id $k]}}}}} "]
set ag_around_water resid [$ag_around_water get resid]
set ag_around_water_resname [$ag_around_water get resname]
puts $outfile "$pid [lindex $b_res_id $k] [lindex [$b11 get resname] $k] $ag_around_water_resname A: $water_around_b_resname"
}
}
}
close $outfile
cd ..
#计算链A和链C之间或链B和链C之间的水分子
设置输入文件[打开。/name\u 3\u pdb\u chain\u重命名为.dat r]
设置数据[读取$input\u文件]
设置数据[拆分$data”\n“]
关闭$input\u文件
设置链列表[lindex$data 0]
cd 7\u计数\u水
设置输出文件[未清计数\u水3.dat w]
设置链\u比较“”
设置pdblen[L长度$chain_列表]
对于{set i 0}{$i行set ag_around_water resid[$ag_around_water get resid]
需要更改。您可能希望改为ag_around_water_resid
。该消息:
wrong # args: should be "set varName ?newValue?"
变量名中有一个空格而不是下划线。现在,空格在变量名中是合法的,但是变量名需要被引用,这可能会有点烦人。通常最好避免这样使用它们。没有引用,Tcl不知道这是一个单词;通用解析层decides实际上有四个词(set
,ag\u-arou-water
,resid
,还有复杂的[$ag\u-arou-water-get-resid]
)告诉set
去处理它不喜欢的事情
请记住,Tcl的通用语法分析首先发生在从语义上解释命令参数之前。始终。您的set
命令中有一个参数太多(或太少)。在出现此错误之前,请使用调试器或puts缩小脚本的范围。
set ag_around_water resid [$ag_around_water get resid]