Hi All,
I am extremely sorry for sending the previous mail with pdb attachment
having WAT molecule, due to which my mail size exceeded the limit.
I want to apply distance restraint on three residues HID,HID and CYS
with FE, I was following AMBER ADVANCED WORKSHOP TUTORIAL 4,and used
makeDIST_RST for the same but it shows error. Although I have gone
through archived mails with similar problems,I couldn't find the
solution, I have also added FE2 in map.DG-AMBER file.
ERROR no map function for FE2 FE2 :data= 91 CYS SG 170 FE2 FE2 2.4
command used is: makeDIST_RST -upb 7col.dist -pdb t.pdb -rst RST.dist
7col.dist file format:
91 CYS SG 170 FE2 FE2 2.4
133 HID NE2 170 FE2 FE2 2.1
137 HID NE2 170 FE2 FE2 2.1
Please find the modified pdb file as attachment and suggest the right
way to perform distance restraint.
Thanking you
Best Regards,
--
Pragya Priyadarshini
PhD scholar
C/o Dr. Balvinder Singh
Bioinformatics Center (G N R P C)
Institute of Microbial Technology-CSIR
Sector 39A, Chandigarh-160036, INDIA
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Received on Mon Mar 02 2015 - 04:00:02 PST
