VMD-L Mailing List

From: Albert (mailmd2011_at_gmail.com)
Date: Mon Mar 12 2012 - 15:24:37 CDT

Dear:
   I've performed propka3.1 by command in terminal and it was finished
normally. I am trying to import the results into VMD 1.91 but it said
the following:

atomselect: cannot parse selection text: resname <1> and name O32
atomselect: cannot parse selection text: resname <1> and name O32
     while executing
"atomselect $mol "resname $tmpname and name $tmpid$tmpchain_seltext""
     (procedure "::PropKa::propka_getLigandID" line 24)
     invoked from within
"::PropKa::propka_getLigandID $resid [lrange $line 10 13]"
     (procedure "::PropKa::propka3_read" line 312)
     invoked from within
"::PropKa::propka3_read"
     (procedure "::PropKa::propka_results" line 55)
     invoked from within
"::PropKa::propka_results"
     ("foreach" body line 6)
     invoked from within
"foreach tmpfile $filetest {
                 set ::PropKa::pkafile $tmpfile
                 set ::PropKa::jobdir [file dirname $::PropKa::pkafile]
     ..."
     invoked from within
".propka.menubar.file.menu invoke active"
     ("uplevel" body line 1)
     invoked from within
"uplevel #0 [list $w invoke active]"
     (procedure "tk::MenuInvoke" line 50)
     invoked from within
"tk::MenuInvoke .propka.menubar.file.menu 1"
     (command bound to event)