Macro STR_CollectData

xxx.

Usage:

• xxx
• xxx

Cauton:

xxx

Sub Str_CollectData()

'collects the sequences of the PDB structures
'the residue labels, x,y,and z coordinates on individual worksheets
    
    Sheets.Add
    ActiveSheet.Name = "SEQ"
    Sheets.Add
    ActiveSheet.Name = "LABEL"
    Sheets.Add
    ActiveSheet.Name = "Alig"
    Sheets.Add
    ActiveSheet.Name = "X"
    Sheets.Add
    ActiveSheet.Name = "Y"
    Sheets.Add
    ActiveSheet.Name = "Z"

    For i = 1 To 255 Step 1
        If IsEmpty(Sheets("Files").Cells(i, 1)) Then Exit For
    
            aaa = Sheets("Files").Cells(i, 1)
                
        Sheets("Label").Cells(1, i) = aaa
        Sheets("SEQ").Cells(1, i) = aaa
        Sheets("X").Cells(1, i) = aaa
        Sheets("Y").Cells(1, i) = aaa
        Sheets("Z").Cells(1, i) = aaa
        Sheets(aaa).Select
        k = 2
        
        For j = 1 To 10000 Step 1                     'all atom records
        
            If (IsEmpty(Cells(j, 1)) And IsEmpty(Cells(j + 1, 1)) And IsEmpty(Cells(j + 2, 1))) Then Exit For 'end of table
            
            If (Cells(j, 4) Like "CA") Then  'new residue
                k = k + 1
                Sheets("Label").Cells(k, i) = Cells(j, 9)
                Sheets("SEQ").Cells(k, i) = Cells(j, 6)
                Sheets("X").Cells(k, i) = Cells(j, 12)
                Sheets("Y").Cells(k, i) = Cells(j, 13)
                Sheets("Z").Cells(k, i) = Cells(j, 14)
            End If
            
        Next j
xxx:
   Next i

End Sub